1-[(2-methylcyclohexen-1-yl)methyl]piperidin-4-amine

C13H24N2 — CID 139271565

IUPAC1-[(2-methylcyclohexen-1-yl)methyl]piperidin-4-amine
SMILESCC1=C(CN2CCC(N)CC2)CCCC1
InChIInChI=1S/C13H24N2/c1-11-4-2-3-5-12(11)10-15-8-6-13(14)7-9-15/h13H,2-10,14H2,1H3
InChIKeyWZMCHZNPJHTHKU-UHFFFAOYSA-N
MW208.35 g/mol
LogP2.30
Rot. Bonds2

About 1-[(2-methylcyclohexen-1-yl)methyl]piperidin-4-amine

1-[(2-methylcyclohexen-1-yl)methyl]piperidin-4-amine (PubChem CID 139271565) has the molecular formula C13H24N2 and a molecular weight of 208.35 g/mol. Its IUPAC name is 1-[(2-methylcyclohexen-1-yl)methyl]piperidin-4-amine.

Molecular Properties

Compound Name1-[(2-methylcyclohexen-1-yl)methyl]piperidin-4-amine
PubChem CID139271565
Molecular FormulaC13H24N2
Molecular Weight208.35 g/mol
Exact Mass208.19
IUPAC Name1-[(2-methylcyclohexen-1-yl)methyl]piperidin-4-amine
SMILESCC1=C(CN2CCC(N)CC2)CCCC1
InChIInChI=1S/C13H24N2/c1-11-4-2-3-5-12(11)10-15-8-6-13(14)7-9-15/h13H,2-10,14H2,1H3
InChIKeyWZMCHZNPJHTHKU-UHFFFAOYSA-N
XLogP2.30
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.35
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-[(4-methylphenyl)methyl]piperidin-4-amine;hydrochloride
CID 17221614
1-[[(1E)-cyclononen-1-yl]methyl]piperidin-4-amine
CID 139917011
1-[[(1E)-cycloocten-1-yl]methyl]piperidin-4-amine;hydrochloride
CID 172883218
1-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)piperidin-4-amine
CID 107076242
1-[(2,3,4,5,6-pentafluorophenyl)methyl]piperidin-4-amine
CID 43556413
1-[[4-(2-methylpropyl)phenyl]methyl]piperidin-4-amine;hydrochloride
CID 119907556
1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperidin-4-amine;hydrochloride
CID 119907958
1-[(6-methylpyrazin-2-yl)methyl]piperidin-4-amine
CID 82395830
1-[(4-ethylsulfanylphenyl)methyl]piperidin-4-amine
CID 83727457
1-[(3-ethoxy-4-methylphenyl)methyl]piperidin-4-amine
CID 68821598
1-[(1-ethyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)methyl]piperidin-4-amine
CID 176515403
1-[2-(4-aminopiperidin-1-yl)ethyl]pyrrolidine-2,5-dione
CID 43556667

Frequently Asked Questions

What is the IUPAC name of 1-[(2-methylcyclohexen-1-yl)methyl]piperidin-4-amine?
The IUPAC name of 1-[(2-methylcyclohexen-1-yl)methyl]piperidin-4-amine (CID 139271565) is 1-[(2-methylcyclohexen-1-yl)methyl]piperidin-4-amine.
What is the SMILES notation for 1-[(2-methylcyclohexen-1-yl)methyl]piperidin-4-amine?
The canonical SMILES for 1-[(2-methylcyclohexen-1-yl)methyl]piperidin-4-amine is CC1=C(CN2CCC(N)CC2)CCCC1.
What is the InChIKey of 1-[(2-methylcyclohexen-1-yl)methyl]piperidin-4-amine?
The InChIKey is WZMCHZNPJHTHKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2/c1-11-4-2-3-5-12(11)10-15-8-6-13(14)7-9-15/h13H,2-10,14H2,1H3.
What are the key properties of 1-[(2-methylcyclohexen-1-yl)methyl]piperidin-4-amine?
1-[(2-methylcyclohexen-1-yl)methyl]piperidin-4-amine has a molecular weight of 208.35 g/mol, XLogP of 2.30, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-methylcyclohexen-1-yl)methyl]piperidin-4-amine is sourced from PubChem (CID 139271565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).