3-[[butyl(cyclopropyl)amino]methyl]cyclohexan-1-amine

C14H28N2 — CID 63045600

IUPAC3-[[butyl(cyclopropyl)amino]methyl]cyclohexan-1-amine
SMILESCCCCN(CC1CCCC(N)C1)C1CC1
InChIInChI=1S/C14H28N2/c1-2-3-9-16(14-7-8-14)11-12-5-4-6-13(15)10-12/h12-14H,2-11,15H2,1H3
InChIKeyMTULCYJZHPSQFA-UHFFFAOYSA-N
MW224.39 g/mol
LogP2.77
Rot. Bonds6

About 3-[[butyl(cyclopropyl)amino]methyl]cyclohexan-1-amine

3-[[butyl(cyclopropyl)amino]methyl]cyclohexan-1-amine (PubChem CID 63045600) has the molecular formula C14H28N2 and a molecular weight of 224.39 g/mol. Its IUPAC name is 3-[[butyl(cyclopropyl)amino]methyl]cyclohexan-1-amine.

Molecular Properties

Compound Name3-[[butyl(cyclopropyl)amino]methyl]cyclohexan-1-amine
PubChem CID63045600
Molecular FormulaC14H28N2
Molecular Weight224.39 g/mol
Exact Mass224.23
IUPAC Name3-[[butyl(cyclopropyl)amino]methyl]cyclohexan-1-amine
SMILESCCCCN(CC1CCCC(N)C1)C1CC1
InChIInChI=1S/C14H28N2/c1-2-3-9-16(14-7-8-14)11-12-5-4-6-13(15)10-12/h12-14H,2-11,15H2,1H3
InChIKeyMTULCYJZHPSQFA-UHFFFAOYSA-N
XLogP2.77
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.39
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-butyl-N-(cyclohexylmethyl)cyclohexanamine;hydrochloride
CID 174640221
3-[[cyclopropyl(cyclopropylmethyl)amino]methyl]cyclohexan-1-amine
CID 64522365
3-[(dibutylamino)methyl]cyclopentan-1-amine
CID 66008000
N'-cyclobutyl-N'-(cyclobutylmethyl)propane-1,3-diamine
CID 102875057
3-(diethylaminomethyl)cyclohexan-1-amine
CID 63045933
trans-(1S,3S)-3-[(dimethylamino)methyl]cyclohexan-1-amine
CID 95363630
2-[(3-aminocyclopentyl)-butylamino]acetamide
CID 79468490
N'-cyclopentyl-N'-(cyclopentylmethyl)propane-1,3-diamine
CID 61344091
4-[[cyclopropyl(propyl)amino]methyl]cyclohexan-1-amine
CID 60850888
N-hexyl-N-(piperidin-3-ylmethyl)cyclopropanamine
CID 106624769
N'-butyl-N'-cyclopropylethane-1,2-diamine
CID 61349574
N-butyl-N-propylcyclohexanamine
CID 15751893

Frequently Asked Questions

What is the IUPAC name of 3-[[butyl(cyclopropyl)amino]methyl]cyclohexan-1-amine?
The IUPAC name of 3-[[butyl(cyclopropyl)amino]methyl]cyclohexan-1-amine (CID 63045600) is 3-[[butyl(cyclopropyl)amino]methyl]cyclohexan-1-amine.
What is the SMILES notation for 3-[[butyl(cyclopropyl)amino]methyl]cyclohexan-1-amine?
The canonical SMILES for 3-[[butyl(cyclopropyl)amino]methyl]cyclohexan-1-amine is CCCCN(CC1CCCC(N)C1)C1CC1.
What is the InChIKey of 3-[[butyl(cyclopropyl)amino]methyl]cyclohexan-1-amine?
The InChIKey is MTULCYJZHPSQFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2/c1-2-3-9-16(14-7-8-14)11-12-5-4-6-13(15)10-12/h12-14H,2-11,15H2,1H3.
What are the key properties of 3-[[butyl(cyclopropyl)amino]methyl]cyclohexan-1-amine?
3-[[butyl(cyclopropyl)amino]methyl]cyclohexan-1-amine has a molecular weight of 224.39 g/mol, XLogP of 2.77, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[butyl(cyclopropyl)amino]methyl]cyclohexan-1-amine is sourced from PubChem (CID 63045600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).