2,2,5-trimethyl-3-methylidene-N-[3-methyl-5-(2-methylcyclopropyl)hex-5-enyl]heptan-1-amine

C22H41N — CID 167149203

IUPAC2,2,5-trimethyl-3-methylidene-N-[3-methyl-5-(2-methylcyclopropyl)hex-5-enyl]heptan-1-amine
SMILESC=C(CC(C)CCNCC(C)(C)C(=C)CC(C)CC)C1CC1C
InChIInChI=1S/C22H41N/c1-9-16(2)13-20(6)22(7,8)15-23-11-10-17(3)12-18(4)21-14-19(21)5/h16-17,19,21,23H,4,6,9-15H2,1-3,5,7-8H3
InChIKeyRQNARJTXBBRMOV-UHFFFAOYSA-N
MW319.58 g/mol
LogP6.22
Rot. Bonds12

About 2,2,5-trimethyl-3-methylidene-N-[3-methyl-5-(2-methylcyclopropyl)hex-5-enyl]heptan-1-amine

2,2,5-trimethyl-3-methylidene-N-[3-methyl-5-(2-methylcyclopropyl)hex-5-enyl]heptan-1-amine (PubChem CID 167149203) has the molecular formula C22H41N and a molecular weight of 319.58 g/mol. Its IUPAC name is 2,2,5-trimethyl-3-methylidene-N-[3-methyl-5-(2-methylcyclopropyl)hex-5-enyl]heptan-1-amine.

Molecular Properties

Compound Name2,2,5-trimethyl-3-methylidene-N-[3-methyl-5-(2-methylcyclopropyl)hex-5-enyl]heptan-1-amine
PubChem CID167149203
Molecular FormulaC22H41N
Molecular Weight319.58 g/mol
Exact Mass319.32
IUPAC Name2,2,5-trimethyl-3-methylidene-N-[3-methyl-5-(2-methylcyclopropyl)hex-5-enyl]heptan-1-amine
SMILESC=C(CC(C)CCNCC(C)(C)C(=C)CC(C)CC)C1CC1C
InChIInChI=1S/C22H41N/c1-9-16(2)13-20(6)22(7,8)15-23-11-10-17(3)12-18(4)21-14-19(21)5/h16-17,19,21,23H,4,6,9-15H2,1-3,5,7-8H3
InChIKeyRQNARJTXBBRMOV-UHFFFAOYSA-N
XLogP6.22
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds12
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500319.58
LogP ≤ 56.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 2,2,5-trimethyl-3-methylidene-N-[3-methyl-5-(2-methylcyclopropyl)hex-5-enyl]heptan-1-amine with MolForge

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Related Compounds

2-fluoro-3,3,10-trimethyl-N-(3-methylbut-1-en-2-yl)undec-10-en-1-amine
CID 169881078
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CID 70383627
4-prop-2-enyl-N-(4-prop-2-enyloctadecyl)octadecan-1-amine
CID 88520711
N,2,2,5,7-pentamethyl-6-methylideneoctan-4-amine
CID 89076765
N-ethyl-6,6,7-trimethyl-4-methylideneoct-7-en-3-amine
CID 89217463
N,2,7,8,8-pentamethyl-5,6-dimethylidenedecan-1-amine
CID 90699122
N,6-diethyl-11-(2-penta-1,4-dien-2-ylcyclopropyl)-3-propylundecan-1-amine
CID 90739406
6-ethenyl-7-ethyl-N,5,6,8-tetramethylnonan-1-amine
CID 90804437
N-heptyl-2-[1-(1-methyl-4-propan-2-ylcyclohexyl)buta-2,3-dien-2-yl]octan-1-amine
CID 90828571
5-ethyl-2,9,10-trimethyl-8-methylidene-N-propan-2-ylundecan-4-amine
CID 90878934
1-cyclohexyl-N,5,5-trimethyl-7-methylidenenonan-2-amine
CID 91004662
3-(2,2-dimethylhexyl)-N,3,4,4,7-pentamethylnon-8-en-1-amine
CID 91046982

Frequently Asked Questions

What is the IUPAC name of 2,2,5-trimethyl-3-methylidene-N-[3-methyl-5-(2-methylcyclopropyl)hex-5-enyl]heptan-1-amine?
The IUPAC name of 2,2,5-trimethyl-3-methylidene-N-[3-methyl-5-(2-methylcyclopropyl)hex-5-enyl]heptan-1-amine (CID 167149203) is 2,2,5-trimethyl-3-methylidene-N-[3-methyl-5-(2-methylcyclopropyl)hex-5-enyl]heptan-1-amine.
What is the SMILES notation for 2,2,5-trimethyl-3-methylidene-N-[3-methyl-5-(2-methylcyclopropyl)hex-5-enyl]heptan-1-amine?
The canonical SMILES for 2,2,5-trimethyl-3-methylidene-N-[3-methyl-5-(2-methylcyclopropyl)hex-5-enyl]heptan-1-amine is C=C(CC(C)CCNCC(C)(C)C(=C)CC(C)CC)C1CC1C.
What is the InChIKey of 2,2,5-trimethyl-3-methylidene-N-[3-methyl-5-(2-methylcyclopropyl)hex-5-enyl]heptan-1-amine?
The InChIKey is RQNARJTXBBRMOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H41N/c1-9-16(2)13-20(6)22(7,8)15-23-11-10-17(3)12-18(4)21-14-19(21)5/h16-17,19,21,23H,4,6,9-15H2,1-3,5,7-8H3.
What are the key properties of 2,2,5-trimethyl-3-methylidene-N-[3-methyl-5-(2-methylcyclopropyl)hex-5-enyl]heptan-1-amine?
2,2,5-trimethyl-3-methylidene-N-[3-methyl-5-(2-methylcyclopropyl)hex-5-enyl]heptan-1-amine has a molecular weight of 319.58 g/mol, XLogP of 6.22, 12 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,5-trimethyl-3-methylidene-N-[3-methyl-5-(2-methylcyclopropyl)hex-5-enyl]heptan-1-amine is sourced from PubChem (CID 167149203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).