1-cyclobutyl-N-[3-(3-ethyl-2,2-dimethylcyclopropyl)but-1-en-2-yl]-4-methyl-3-methylidenepent-4-en-2-amine

C22H37N — CID 143358628

IUPAC1-cyclobutyl-N-[3-(3-ethyl-2,2-dimethylcyclopropyl)but-1-en-2-yl]-4-methyl-3-methylidenepent-4-en-2-amine
SMILESC=C(C)C(=C)C(CC1CCC1)NC(=C)C(C)C1C(CC)C1(C)C
InChIInChI=1S/C22H37N/c1-9-19-21(22(19,7)8)16(5)17(6)23-20(15(4)14(2)3)13-18-11-10-12-18/h16,18-21,23H,2,4,6,9-13H2,1,3,5,7-8H3
InChIKeyBMNUVVZRJSIUMO-UHFFFAOYSA-N
MW315.55 g/mol
LogP6.10
Rot. Bonds9

About 1-cyclobutyl-N-[3-(3-ethyl-2,2-dimethylcyclopropyl)but-1-en-2-yl]-4-methyl-3-methylidenepent-4-en-2-amine

1-cyclobutyl-N-[3-(3-ethyl-2,2-dimethylcyclopropyl)but-1-en-2-yl]-4-methyl-3-methylidenepent-4-en-2-amine (PubChem CID 143358628) has the molecular formula C22H37N and a molecular weight of 315.55 g/mol. Its IUPAC name is 1-cyclobutyl-N-[3-(3-ethyl-2,2-dimethylcyclopropyl)but-1-en-2-yl]-4-methyl-3-methylidenepent-4-en-2-amine.

Molecular Properties

Compound Name1-cyclobutyl-N-[3-(3-ethyl-2,2-dimethylcyclopropyl)but-1-en-2-yl]-4-methyl-3-methylidenepent-4-en-2-amine
PubChem CID143358628
Molecular FormulaC22H37N
Molecular Weight315.55 g/mol
Exact Mass315.29
IUPAC Name1-cyclobutyl-N-[3-(3-ethyl-2,2-dimethylcyclopropyl)but-1-en-2-yl]-4-methyl-3-methylidenepent-4-en-2-amine
SMILESC=C(C)C(=C)C(CC1CCC1)NC(=C)C(C)C1C(CC)C1(C)C
InChIInChI=1S/C22H37N/c1-9-19-21(22(19,7)8)16(5)17(6)23-20(15(4)14(2)3)13-18-11-10-12-18/h16,18-21,23H,2,4,6,9-13H2,1,3,5,7-8H3
InChIKeyBMNUVVZRJSIUMO-UHFFFAOYSA-N
XLogP6.10
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500315.55
LogP ≤ 56.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

1-cyclohexyl-2-methyl-N-prop-1-en-2-ylprop-2-en-1-amine;1,2-dimethylcyclopentane;ethane;N-ethenylprop-2-en-1-amine;N-[3-(3-ethyl-2,2-dimethylcyclopropyl)but-1-en-2-yl]-2-methylhex-1-en-3-amine
CID 142268643
but-1-ene;1-cyclopentyl-2-methyl-N-prop-1-en-2-ylprop-2-en-1-amine;2-ethyl-1,1-dimethyl-3-(3-methylbut-3-en-2-yl)cyclopropane;7-methyl-5,6-dimethylidenedec-1-ene
CID 142268322
2-N-[[(1S,3R)-2,2-dimethyl-3-(3-methylbut-3-en-2-yl)cyclopropyl]methyl]-2-N-methyl-1-(1-methylcyclohexyl)-1-N-[1-(3-methylheptan-4-ylamino)ethenyl]prop-2-ene-1,2-diamine;(2,4-dimethyl-3-methylidenepent-4-enyl)cyclobutane;ethane;methane
CID 143352518
5-cyclopropyl-4-methyl-3-methylidenepent-1-en-2-amine;6-(3-ethyl-2,2-dimethylcyclopropyl)-2,2,5-trimethyl-4,7-dimethylidene-N-prop-1-en-2-ylnon-8-en-3-amine;4-methylidenehexylcyclopentane
CID 143358126
1-cycloheptyl-N-ethyl-3-methylbut-3-en-2-amine
CID 105005423
4-(cyclobutylmethyl)-3-methylidenehex-1-en-2-amine;N,3-dimethylbut-1-en-2-amine;N-[[(1S,3R)-2,2-dimethyl-3-(3-methylbut-3-en-2-yl)cyclopropyl]methyl]-N,4,4-trimethyl-3-[1-(2,3,3-trimethylbutylamino)ethenylamino]pentanamide;ethane
CID 143362551
(2R)-2-[(3-cyclopentyl-2-methylpropanoyl)amino]propanoic acid
CID 103791111
2-(3-ethyl-2,2-dimethylcyclopropyl)propanal
CID 89087106
ethylcyclobutane;tris(2-methylprop-2-enoic acid)
CID 67802354
2-prop-1-en-2-ylpentylcyclobutane
CID 123471153
2,4-dimethylpent-1-ene;ethenamine;3-methylbut-3-en-2-ylcyclohexane;methylcyclobutane;4-methyl-3-methylidene-5-(2,2,3-trimethylcyclopropyl)hex-1-en-2-amine;propane
CID 142110052
(3R)-3-[(1S,3S)-3-ethyl-2,2-dimethylcyclopropyl]-4-methylidenehept-6-en-2-one
CID 143362675

Frequently Asked Questions

What is the IUPAC name of 1-cyclobutyl-N-[3-(3-ethyl-2,2-dimethylcyclopropyl)but-1-en-2-yl]-4-methyl-3-methylidenepent-4-en-2-amine?
The IUPAC name of 1-cyclobutyl-N-[3-(3-ethyl-2,2-dimethylcyclopropyl)but-1-en-2-yl]-4-methyl-3-methylidenepent-4-en-2-amine (CID 143358628) is 1-cyclobutyl-N-[3-(3-ethyl-2,2-dimethylcyclopropyl)but-1-en-2-yl]-4-methyl-3-methylidenepent-4-en-2-amine.
What is the SMILES notation for 1-cyclobutyl-N-[3-(3-ethyl-2,2-dimethylcyclopropyl)but-1-en-2-yl]-4-methyl-3-methylidenepent-4-en-2-amine?
The canonical SMILES for 1-cyclobutyl-N-[3-(3-ethyl-2,2-dimethylcyclopropyl)but-1-en-2-yl]-4-methyl-3-methylidenepent-4-en-2-amine is C=C(C)C(=C)C(CC1CCC1)NC(=C)C(C)C1C(CC)C1(C)C.
What is the InChIKey of 1-cyclobutyl-N-[3-(3-ethyl-2,2-dimethylcyclopropyl)but-1-en-2-yl]-4-methyl-3-methylidenepent-4-en-2-amine?
The InChIKey is BMNUVVZRJSIUMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H37N/c1-9-19-21(22(19,7)8)16(5)17(6)23-20(15(4)14(2)3)13-18-11-10-12-18/h16,18-21,23H,2,4,6,9-13H2,1,3,5,7-8H3.
What are the key properties of 1-cyclobutyl-N-[3-(3-ethyl-2,2-dimethylcyclopropyl)but-1-en-2-yl]-4-methyl-3-methylidenepent-4-en-2-amine?
1-cyclobutyl-N-[3-(3-ethyl-2,2-dimethylcyclopropyl)but-1-en-2-yl]-4-methyl-3-methylidenepent-4-en-2-amine has a molecular weight of 315.55 g/mol, XLogP of 6.10, 9 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclobutyl-N-[3-(3-ethyl-2,2-dimethylcyclopropyl)but-1-en-2-yl]-4-methyl-3-methylidenepent-4-en-2-amine is sourced from PubChem (CID 143358628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).