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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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).