N-[(2-heptyl-4,4-dimethylcyclohexyl)methyl]cyclopropanamine

C19H37N — CID 81030361

IUPACN-[(2-heptyl-4,4-dimethylcyclohexyl)methyl]cyclopropanamine
SMILESCCCCCCCC1CC(C)(C)CCC1CNC1CC1
InChIInChI=1S/C19H37N/c1-4-5-6-7-8-9-16-14-19(2,3)13-12-17(16)15-20-18-10-11-18/h16-18,20H,4-15H2,1-3H3
InChIKeyWZHQWOGTOZANQR-UHFFFAOYSA-N
MW279.51 g/mol
LogP5.54
Rot. Bonds9

About N-[(2-heptyl-4,4-dimethylcyclohexyl)methyl]cyclopropanamine

N-[(2-heptyl-4,4-dimethylcyclohexyl)methyl]cyclopropanamine (PubChem CID 81030361) has the molecular formula C19H37N and a molecular weight of 279.51 g/mol. Its IUPAC name is N-[(2-heptyl-4,4-dimethylcyclohexyl)methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[(2-heptyl-4,4-dimethylcyclohexyl)methyl]cyclopropanamine
PubChem CID81030361
Molecular FormulaC19H37N
Molecular Weight279.51 g/mol
Exact Mass279.29
IUPAC NameN-[(2-heptyl-4,4-dimethylcyclohexyl)methyl]cyclopropanamine
SMILESCCCCCCCC1CC(C)(C)CCC1CNC1CC1
InChIInChI=1S/C19H37N/c1-4-5-6-7-8-9-16-14-19(2,3)13-12-17(16)15-20-18-10-11-18/h16-18,20H,4-15H2,1-3H3
InChIKeyWZHQWOGTOZANQR-UHFFFAOYSA-N
XLogP5.54
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500279.51
LogP ≤ 55.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-[(2-butyl-4,4-dimethylcyclohexyl)methyl]cyclopropanamine
CID 81030656
N-[(2-ethyl-4,4-dimethylcyclohexyl)methyl]cyclopropanamine
CID 81030735
N-[(2-octylcyclobutyl)methyl]cyclopropanamine
CID 81017226
N-[(2-octylcyclopentyl)methyl]cyclopropanamine
CID 81033237
N-[[2-(ethoxymethyl)-4,4-dimethylcyclohexyl]methyl]cyclopropanamine
CID 81030365
2-hexyl-4,4-dimethylcyclohexan-1-amine
CID 81013830
N-[(2-hexyl-4-propan-2-ylcyclohexyl)methyl]cyclopropanamine
CID 81030673
2-hexyl-4,4-dimethylcyclohexane-1-carboxylic acid
CID 81021000
N-[(2-cyclopentyl-4,4-dimethylcyclohexyl)methyl]cyclopropanamine
CID 81030507
4,4-dimethyl-2-pentylcyclohexane-1-carboxylic acid
CID 81021082
N-[[2-(3-ethylsulfanylpropyl)-4,4-dimethylcyclohexyl]methyl]ethanamine
CID 113474801
N-[(2-heptyl-2-methylcyclopropyl)methyl]cyclopropanamine
CID 63515265

Frequently Asked Questions

What is the IUPAC name of N-[(2-heptyl-4,4-dimethylcyclohexyl)methyl]cyclopropanamine?
The IUPAC name of N-[(2-heptyl-4,4-dimethylcyclohexyl)methyl]cyclopropanamine (CID 81030361) is N-[(2-heptyl-4,4-dimethylcyclohexyl)methyl]cyclopropanamine.
What is the SMILES notation for N-[(2-heptyl-4,4-dimethylcyclohexyl)methyl]cyclopropanamine?
The canonical SMILES for N-[(2-heptyl-4,4-dimethylcyclohexyl)methyl]cyclopropanamine is CCCCCCCC1CC(C)(C)CCC1CNC1CC1.
What is the InChIKey of N-[(2-heptyl-4,4-dimethylcyclohexyl)methyl]cyclopropanamine?
The InChIKey is WZHQWOGTOZANQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H37N/c1-4-5-6-7-8-9-16-14-19(2,3)13-12-17(16)15-20-18-10-11-18/h16-18,20H,4-15H2,1-3H3.
What are the key properties of N-[(2-heptyl-4,4-dimethylcyclohexyl)methyl]cyclopropanamine?
N-[(2-heptyl-4,4-dimethylcyclohexyl)methyl]cyclopropanamine has a molecular weight of 279.51 g/mol, XLogP of 5.54, 9 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-heptyl-4,4-dimethylcyclohexyl)methyl]cyclopropanamine is sourced from PubChem (CID 81030361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).