1-[(3-methylcyclohexyl)methyl]piperidin-2-amine

C13H26N2 — CID 163170987

IUPAC1-[(3-methylcyclohexyl)methyl]piperidin-2-amine
SMILESCC1CCCC(CN2CCCCC2N)C1
InChIInChI=1S/C13H26N2/c1-11-5-4-6-12(9-11)10-15-8-3-2-7-13(15)14/h11-13H,2-10,14H2,1H3
InChIKeyVMXURBFHSRZVNC-UHFFFAOYSA-N
MW210.36 g/mol
LogP2.58
Rot. Bonds2

About 1-[(3-methylcyclohexyl)methyl]piperidin-2-amine

1-[(3-methylcyclohexyl)methyl]piperidin-2-amine (PubChem CID 163170987) has the molecular formula C13H26N2 and a molecular weight of 210.36 g/mol. Its IUPAC name is 1-[(3-methylcyclohexyl)methyl]piperidin-2-amine.

Molecular Properties

Compound Name1-[(3-methylcyclohexyl)methyl]piperidin-2-amine
PubChem CID163170987
Molecular FormulaC13H26N2
Molecular Weight210.36 g/mol
Exact Mass210.21
IUPAC Name1-[(3-methylcyclohexyl)methyl]piperidin-2-amine
SMILESCC1CCCC(CN2CCCCC2N)C1
InChIInChI=1S/C13H26N2/c1-11-5-4-6-12(9-11)10-15-8-3-2-7-13(15)14/h11-13H,2-10,14H2,1H3
InChIKeyVMXURBFHSRZVNC-UHFFFAOYSA-N
XLogP2.58
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.36
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-amino-N-[[1-[(3-methylcyclohexyl)methyl]piperidin-2-yl]methyl]propanamide
CID 120910898
(3R)-1-[(3-methylcyclohexyl)methyl]piperidin-3-amine;hydrochloride
CID 120845899
3-amino-N-[[1-[(3-methylcyclohexyl)methyl]piperidin-2-yl]methyl]propanamide;hydrochloride
CID 120910897
(3-methylcyclohexyl)methanamine
CID 18361468
[1-[(3-methylcyclohexyl)methyl]pyrrolidin-3-yl]methanamine;hydrochloride
CID 120837602
1-methyl-3-[(3-methylcyclohexyl)methyl]cyclohexane
CID 19860313
1-[1-[2-(3-methylcyclohexyl)ethyl]piperidin-2-yl]ethanol
CID 154850465
3-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-ylmethyl)cyclohexan-1-amine
CID 63044908
3-[(2-cyclopentylpyrrolidin-1-yl)methyl]cyclohexan-1-amine
CID 63046297
1-(cyclohexylmethyl)-3-methylpiperidin-2-amine
CID 163167256
ethane;1-methyl-3-[(3-methylcyclohexyl)methyl]cyclohexane
CID 171814310
trans-(1S,3S)-1-ethyl-3-methylcyclohexane
CID 23620235

Frequently Asked Questions

What is the IUPAC name of 1-[(3-methylcyclohexyl)methyl]piperidin-2-amine?
The IUPAC name of 1-[(3-methylcyclohexyl)methyl]piperidin-2-amine (CID 163170987) is 1-[(3-methylcyclohexyl)methyl]piperidin-2-amine.
What is the SMILES notation for 1-[(3-methylcyclohexyl)methyl]piperidin-2-amine?
The canonical SMILES for 1-[(3-methylcyclohexyl)methyl]piperidin-2-amine is CC1CCCC(CN2CCCCC2N)C1.
What is the InChIKey of 1-[(3-methylcyclohexyl)methyl]piperidin-2-amine?
The InChIKey is VMXURBFHSRZVNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2/c1-11-5-4-6-12(9-11)10-15-8-3-2-7-13(15)14/h11-13H,2-10,14H2,1H3.
What are the key properties of 1-[(3-methylcyclohexyl)methyl]piperidin-2-amine?
1-[(3-methylcyclohexyl)methyl]piperidin-2-amine has a molecular weight of 210.36 g/mol, XLogP of 2.58, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-methylcyclohexyl)methyl]piperidin-2-amine is sourced from PubChem (CID 163170987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).