2-[[methyl(pentyl)amino]methyl]cyclohexan-1-amine

C13H28N2 — CID 62614941

IUPAC2-[[methyl(pentyl)amino]methyl]cyclohexan-1-amine
SMILESCCCCCN(C)CC1CCCCC1N
InChIInChI=1S/C13H28N2/c1-3-4-7-10-15(2)11-12-8-5-6-9-13(12)14/h12-13H,3-11,14H2,1-2H3
InChIKeyNOGIHVDWRUBVLX-UHFFFAOYSA-N
MW212.38 g/mol
LogP2.63
Rot. Bonds6

About 2-[[methyl(pentyl)amino]methyl]cyclohexan-1-amine

2-[[methyl(pentyl)amino]methyl]cyclohexan-1-amine (PubChem CID 62614941) has the molecular formula C13H28N2 and a molecular weight of 212.38 g/mol. Its IUPAC name is 2-[[methyl(pentyl)amino]methyl]cyclohexan-1-amine.

Molecular Properties

Compound Name2-[[methyl(pentyl)amino]methyl]cyclohexan-1-amine
PubChem CID62614941
Molecular FormulaC13H28N2
Molecular Weight212.38 g/mol
Exact Mass212.23
IUPAC Name2-[[methyl(pentyl)amino]methyl]cyclohexan-1-amine
SMILESCCCCCN(C)CC1CCCCC1N
InChIInChI=1S/C13H28N2/c1-3-4-7-10-15(2)11-12-8-5-6-9-13(12)14/h12-13H,3-11,14H2,1-2H3
InChIKeyNOGIHVDWRUBVLX-UHFFFAOYSA-N
XLogP2.63
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.38
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[[methyl(pentyl)amino]methyl]cyclopentan-1-amine
CID 62615567
2-[[butyl(methyl)amino]methyl]cyclopentan-1-amine
CID 62616937
2-[[butyl(ethyl)amino]methyl]cycloheptan-1-amine
CID 62615538
2-pentylcyclohexan-1-amine
CID 23132313
2-[[methyl(2-methylsulfonylethyl)amino]methyl]cyclohexan-1-amine
CID 79859494
2-heptylcyclohexan-1-amine
CID 23132318
2-dodecylcyclohexan-1-amine
CID 63400047
2-[[butan-2-yl(butyl)amino]methyl]cycloheptan-1-amine
CID 62611425
N'-[(2-aminocycloheptyl)methyl]-N,N-dimethyl-N'-propylethane-1,2-diamine
CID 62611045
N-(cyclohexylmethyl)-N-methylbutan-1-amine;ethane
CID 142936949
N-[(2-aminocyclohexyl)methyl]-N-butylaniline
CID 64584073
2-(diethylaminomethyl)cycloheptan-1-amine
CID 62616063

Frequently Asked Questions

What is the IUPAC name of 2-[[methyl(pentyl)amino]methyl]cyclohexan-1-amine?
The IUPAC name of 2-[[methyl(pentyl)amino]methyl]cyclohexan-1-amine (CID 62614941) is 2-[[methyl(pentyl)amino]methyl]cyclohexan-1-amine.
What is the SMILES notation for 2-[[methyl(pentyl)amino]methyl]cyclohexan-1-amine?
The canonical SMILES for 2-[[methyl(pentyl)amino]methyl]cyclohexan-1-amine is CCCCCN(C)CC1CCCCC1N.
What is the InChIKey of 2-[[methyl(pentyl)amino]methyl]cyclohexan-1-amine?
The InChIKey is NOGIHVDWRUBVLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2/c1-3-4-7-10-15(2)11-12-8-5-6-9-13(12)14/h12-13H,3-11,14H2,1-2H3.
What are the key properties of 2-[[methyl(pentyl)amino]methyl]cyclohexan-1-amine?
2-[[methyl(pentyl)amino]methyl]cyclohexan-1-amine has a molecular weight of 212.38 g/mol, XLogP of 2.63, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[methyl(pentyl)amino]methyl]cyclohexan-1-amine is sourced from PubChem (CID 62614941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).