1-[[cyclopropylmethyl(propyl)amino]methyl]cyclohexan-1-amine

C14H28N2 — CID 61443301

IUPAC1-[[cyclopropylmethyl(propyl)amino]methyl]cyclohexan-1-amine
SMILESCCCN(CC1CC1)CC1(N)CCCCC1
InChIInChI=1S/C14H28N2/c1-2-10-16(11-13-6-7-13)12-14(15)8-4-3-5-9-14/h13H,2-12,15H2,1H3
InChIKeyOTOVNZXVMDJVCJ-UHFFFAOYSA-N
MW224.39 g/mol
LogP2.77
Rot. Bonds6

About 1-[[cyclopropylmethyl(propyl)amino]methyl]cyclohexan-1-amine

1-[[cyclopropylmethyl(propyl)amino]methyl]cyclohexan-1-amine (PubChem CID 61443301) has the molecular formula C14H28N2 and a molecular weight of 224.39 g/mol. Its IUPAC name is 1-[[cyclopropylmethyl(propyl)amino]methyl]cyclohexan-1-amine.

Molecular Properties

Compound Name1-[[cyclopropylmethyl(propyl)amino]methyl]cyclohexan-1-amine
PubChem CID61443301
Molecular FormulaC14H28N2
Molecular Weight224.39 g/mol
Exact Mass224.23
IUPAC Name1-[[cyclopropylmethyl(propyl)amino]methyl]cyclohexan-1-amine
SMILESCCCN(CC1CC1)CC1(N)CCCCC1
InChIInChI=1S/C14H28N2/c1-2-10-16(11-13-6-7-13)12-14(15)8-4-3-5-9-14/h13H,2-12,15H2,1H3
InChIKeyOTOVNZXVMDJVCJ-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

1-[[cyclopropylmethyl(propyl)amino]methyl]cyclohexane-1-carboxylic acid
CID 55055794
1-[[cyclobutylmethyl(ethyl)amino]methyl]cyclopropan-1-amine
CID 107399406
N'-[(1-aminocyclobutyl)methyl]-N,N-dimethyl-N'-propylethane-1,2-diamine
CID 81170922
1-[[methyl(propyl)amino]methyl]cyclopentan-1-amine
CID 60854443
1-[[butyl(ethyl)amino]methyl]cyclopentan-1-amine
CID 60852457
N'-[(1-aminocyclohexyl)methyl]-N,N,N'-triethylpropane-1,3-diamine
CID 102994452
1-[(dibutylamino)methyl]cyclobutan-1-amine
CID 81168233
N-[[3-(aminomethyl)oxolan-3-yl]methyl]-N-(cyclopropylmethyl)propan-1-amine
CID 62258482
N-(cyclopropylmethyl)-N-propylbutan-1-amine
CID 89097130
N-(2-bromoethyl)-N-(cyclopropylmethyl)propan-1-amine
CID 61445615
N-(cyclopropylmethyl)-N-[(4-methoxypiperidin-4-yl)methyl]propan-1-amine
CID 114284447
[3-[[cyclopropylmethyl(propyl)amino]methyl]oxolan-3-yl]methanol
CID 62270932

Frequently Asked Questions

What is the IUPAC name of 1-[[cyclopropylmethyl(propyl)amino]methyl]cyclohexan-1-amine?
The IUPAC name of 1-[[cyclopropylmethyl(propyl)amino]methyl]cyclohexan-1-amine (CID 61443301) is 1-[[cyclopropylmethyl(propyl)amino]methyl]cyclohexan-1-amine.
What is the SMILES notation for 1-[[cyclopropylmethyl(propyl)amino]methyl]cyclohexan-1-amine?
The canonical SMILES for 1-[[cyclopropylmethyl(propyl)amino]methyl]cyclohexan-1-amine is CCCN(CC1CC1)CC1(N)CCCCC1.
What is the InChIKey of 1-[[cyclopropylmethyl(propyl)amino]methyl]cyclohexan-1-amine?
The InChIKey is OTOVNZXVMDJVCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2/c1-2-10-16(11-13-6-7-13)12-14(15)8-4-3-5-9-14/h13H,2-12,15H2,1H3.
What are the key properties of 1-[[cyclopropylmethyl(propyl)amino]methyl]cyclohexan-1-amine?
1-[[cyclopropylmethyl(propyl)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 1-[[cyclopropylmethyl(propyl)amino]methyl]cyclohexan-1-amine is sourced from PubChem (CID 61443301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).