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

C20H39N — CID 63523446

IUPACN-[(4-butyl-1-hexylcyclohexyl)methyl]cyclopropanamine
SMILESCCCCCCC1(CNC2CC2)CCC(CCCC)CC1
InChIInChI=1S/C20H39N/c1-3-5-7-8-14-20(17-21-19-10-11-19)15-12-18(13-16-20)9-6-4-2/h18-19,21H,3-17H2,1-2H3
InChIKeyWOOVYUBXTOQUSE-UHFFFAOYSA-N
MW293.54 g/mol
LogP6.08
Rot. Bonds11

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

N-[(4-butyl-1-hexylcyclohexyl)methyl]cyclopropanamine (PubChem CID 63523446) has the molecular formula C20H39N and a molecular weight of 293.54 g/mol. Its IUPAC name is N-[(4-butyl-1-hexylcyclohexyl)methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[(4-butyl-1-hexylcyclohexyl)methyl]cyclopropanamine
PubChem CID63523446
Molecular FormulaC20H39N
Molecular Weight293.54 g/mol
Exact Mass293.31
IUPAC NameN-[(4-butyl-1-hexylcyclohexyl)methyl]cyclopropanamine
SMILESCCCCCCC1(CNC2CC2)CCC(CCCC)CC1
InChIInChI=1S/C20H39N/c1-3-5-7-8-14-20(17-21-19-10-11-19)15-12-18(13-16-20)9-6-4-2/h18-19,21H,3-17H2,1-2H3
InChIKeyWOOVYUBXTOQUSE-UHFFFAOYSA-N
XLogP6.08
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500293.54
LogP ≤ 56.08
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-pentylcyclohexyl)methyl]cyclopropanamine
CID 63523447
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
4-(4-butylcyclohexyl)-1-ethyl-1-hexylcyclohexane
CID 18597121
4-butyl-1-hexylcyclohexan-1-amine
CID 65020342
N-[[1-(2-methoxyethyl)cyclopropyl]methyl]-4-propylcyclohexan-1-amine
CID 103802424
1-ethyl-1-hexyl-4-(4-hexylcyclohexyl)cyclohexane
CID 18597123
1-[4-butyl-1-(2-propoxyethyl)cyclohexyl]-N-methylmethanamine
CID 106456822

Frequently Asked Questions

What is the IUPAC name of N-[(4-butyl-1-hexylcyclohexyl)methyl]cyclopropanamine?
The IUPAC name of N-[(4-butyl-1-hexylcyclohexyl)methyl]cyclopropanamine (CID 63523446) is N-[(4-butyl-1-hexylcyclohexyl)methyl]cyclopropanamine.
What is the SMILES notation for N-[(4-butyl-1-hexylcyclohexyl)methyl]cyclopropanamine?
The canonical SMILES for N-[(4-butyl-1-hexylcyclohexyl)methyl]cyclopropanamine is CCCCCCC1(CNC2CC2)CCC(CCCC)CC1.
What is the InChIKey of N-[(4-butyl-1-hexylcyclohexyl)methyl]cyclopropanamine?
The InChIKey is WOOVYUBXTOQUSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H39N/c1-3-5-7-8-14-20(17-21-19-10-11-19)15-12-18(13-16-20)9-6-4-2/h18-19,21H,3-17H2,1-2H3.
What are the key properties of N-[(4-butyl-1-hexylcyclohexyl)methyl]cyclopropanamine?
N-[(4-butyl-1-hexylcyclohexyl)methyl]cyclopropanamine has a molecular weight of 293.54 g/mol, XLogP of 6.08, 11 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-butyl-1-hexylcyclohexyl)methyl]cyclopropanamine is sourced from PubChem (CID 63523446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).