N-[(4-butyl-1-pentylcyclohexyl)methyl]cyclopropanamine

C19H37N — CID 63523447

IUPACN-[(4-butyl-1-pentylcyclohexyl)methyl]cyclopropanamine
SMILESCCCCCC1(CNC2CC2)CCC(CCCC)CC1
InChIInChI=1S/C19H37N/c1-3-5-7-13-19(16-20-18-9-10-18)14-11-17(12-15-19)8-6-4-2/h17-18,20H,3-16H2,1-2H3
InChIKeyOMFARICJHNIGHD-UHFFFAOYSA-N
MW279.51 g/mol
LogP5.69
Rot. Bonds10

About N-[(4-butyl-1-pentylcyclohexyl)methyl]cyclopropanamine

N-[(4-butyl-1-pentylcyclohexyl)methyl]cyclopropanamine (PubChem CID 63523447) has the molecular formula C19H37N and a molecular weight of 279.51 g/mol. Its IUPAC name is N-[(4-butyl-1-pentylcyclohexyl)methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[(4-butyl-1-pentylcyclohexyl)methyl]cyclopropanamine
PubChem CID63523447
Molecular FormulaC19H37N
Molecular Weight279.51 g/mol
Exact Mass279.29
IUPAC NameN-[(4-butyl-1-pentylcyclohexyl)methyl]cyclopropanamine
SMILESCCCCCC1(CNC2CC2)CCC(CCCC)CC1
InChIInChI=1S/C19H37N/c1-3-5-7-13-19(16-20-18-9-10-18)14-11-17(12-15-19)8-6-4-2/h17-18,20H,3-16H2,1-2H3
InChIKeyOMFARICJHNIGHD-UHFFFAOYSA-N
XLogP5.69
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500279.51
LogP ≤ 55.69
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-[(4-butyl-1-hexylcyclohexyl)methyl]cyclopropanamine
CID 63523446
N-[(1-octylcyclopentyl)methyl]cyclopropanamine
CID 63509236
N-[(4-tert-butyl-1-hexylcyclohexyl)methyl]cyclopropanamine
CID 63507892
1-(bromomethyl)-4-butyl-1-octylcyclohexane
CID 66047977
N-[(1-benzyl-4-butylcyclohexyl)methyl]cyclopropanamine
CID 63521307
N-[(1,4-dibutylcyclohexyl)methyl]ethanamine
CID 63523259
N-[[4-butyl-1-(oxolan-2-ylmethyl)cyclohexyl]methyl]cyclopropanamine
CID 63521135
N-[[1-(2-methoxyethyl)cyclopropyl]methyl]-4-propylcyclohexan-1-amine
CID 103802424
4-(4-butylcyclohexyl)-1-ethyl-1-hexylcyclohexane
CID 18597121
1-[4-butyl-1-(2-propoxyethyl)cyclohexyl]-N-methylmethanamine
CID 106456822
1-[4-butyl-1-(2-ethoxyethyl)cyclohexyl]-N-methylmethanamine
CID 62724574
N-[(4-tert-butyl-1-propylcyclohexyl)methyl]cyclopropanamine
CID 55197381

Frequently Asked Questions

What is the IUPAC name of N-[(4-butyl-1-pentylcyclohexyl)methyl]cyclopropanamine?
The IUPAC name of N-[(4-butyl-1-pentylcyclohexyl)methyl]cyclopropanamine (CID 63523447) is N-[(4-butyl-1-pentylcyclohexyl)methyl]cyclopropanamine.
What is the SMILES notation for N-[(4-butyl-1-pentylcyclohexyl)methyl]cyclopropanamine?
The canonical SMILES for N-[(4-butyl-1-pentylcyclohexyl)methyl]cyclopropanamine is CCCCCC1(CNC2CC2)CCC(CCCC)CC1.
What is the InChIKey of N-[(4-butyl-1-pentylcyclohexyl)methyl]cyclopropanamine?
The InChIKey is OMFARICJHNIGHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H37N/c1-3-5-7-13-19(16-20-18-9-10-18)14-11-17(12-15-19)8-6-4-2/h17-18,20H,3-16H2,1-2H3.
What are the key properties of N-[(4-butyl-1-pentylcyclohexyl)methyl]cyclopropanamine?
N-[(4-butyl-1-pentylcyclohexyl)methyl]cyclopropanamine has a molecular weight of 279.51 g/mol, XLogP of 5.69, 10 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-butyl-1-pentylcyclohexyl)methyl]cyclopropanamine is sourced from PubChem (CID 63523447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).