1-(aminomethyl)-2-methyl-N-prop-2-ynylcyclohexan-1-amine

C11H20N2 — CID 65382192

IUPAC1-(aminomethyl)-2-methyl-N-prop-2-ynylcyclohexan-1-amine
SMILESC#CCNC1(CN)CCCCC1C
InChIInChI=1S/C11H20N2/c1-3-8-13-11(9-12)7-5-4-6-10(11)2/h1,10,13H,4-9,12H2,2H3
InChIKeyUSDXUZNRPRASOG-UHFFFAOYSA-N
MW180.29 g/mol
LogP1.12
Rot. Bonds3

About 1-(aminomethyl)-2-methyl-N-prop-2-ynylcyclohexan-1-amine

1-(aminomethyl)-2-methyl-N-prop-2-ynylcyclohexan-1-amine (PubChem CID 65382192) has the molecular formula C11H20N2 and a molecular weight of 180.29 g/mol. Its IUPAC name is 1-(aminomethyl)-2-methyl-N-prop-2-ynylcyclohexan-1-amine.

Molecular Properties

Compound Name1-(aminomethyl)-2-methyl-N-prop-2-ynylcyclohexan-1-amine
PubChem CID65382192
Molecular FormulaC11H20N2
Molecular Weight180.29 g/mol
Exact Mass180.16
IUPAC Name1-(aminomethyl)-2-methyl-N-prop-2-ynylcyclohexan-1-amine
SMILESC#CCNC1(CN)CCCCC1C
InChIInChI=1S/C11H20N2/c1-3-8-13-11(9-12)7-5-4-6-10(11)2/h1,10,13H,4-9,12H2,2H3
InChIKeyUSDXUZNRPRASOG-UHFFFAOYSA-N
XLogP1.12
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.29
LogP ≤ 51.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-2-methyl-N-prop-2-ynylcyclohexan-1-amine?
The IUPAC name of 1-(aminomethyl)-2-methyl-N-prop-2-ynylcyclohexan-1-amine (CID 65382192) is 1-(aminomethyl)-2-methyl-N-prop-2-ynylcyclohexan-1-amine.
What is the SMILES notation for 1-(aminomethyl)-2-methyl-N-prop-2-ynylcyclohexan-1-amine?
The canonical SMILES for 1-(aminomethyl)-2-methyl-N-prop-2-ynylcyclohexan-1-amine is C#CCNC1(CN)CCCCC1C.
What is the InChIKey of 1-(aminomethyl)-2-methyl-N-prop-2-ynylcyclohexan-1-amine?
The InChIKey is USDXUZNRPRASOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2/c1-3-8-13-11(9-12)7-5-4-6-10(11)2/h1,10,13H,4-9,12H2,2H3.
What are the key properties of 1-(aminomethyl)-2-methyl-N-prop-2-ynylcyclohexan-1-amine?
1-(aminomethyl)-2-methyl-N-prop-2-ynylcyclohexan-1-amine has a molecular weight of 180.29 g/mol, XLogP of 1.12, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aminomethyl)-2-methyl-N-prop-2-ynylcyclohexan-1-amine is sourced from PubChem (CID 65382192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).