4-(aminomethyl)-N,N-dimethylcyclohexan-1-amine

C9H20N2 — CID 23293344

IUPAC4-(aminomethyl)-N,N-dimethylcyclohexan-1-amine
SMILESCN(C)C1CCC(CN)CC1
InChIInChI=1S/C9H20N2/c1-11(2)9-5-3-8(7-10)4-6-9/h8-9H,3-7,10H2,1-2H3
InChIKeyAQRWDLOWHDZKAQ-UHFFFAOYSA-N
MW156.27 g/mol
LogP1.07
Rot. Bonds2

About 4-(aminomethyl)-N,N-dimethylcyclohexan-1-amine

4-(aminomethyl)-N,N-dimethylcyclohexan-1-amine (PubChem CID 23293344) has the molecular formula C9H20N2 and a molecular weight of 156.27 g/mol. Its IUPAC name is 4-(aminomethyl)-N,N-dimethylcyclohexan-1-amine.

Molecular Properties

Compound Name4-(aminomethyl)-N,N-dimethylcyclohexan-1-amine
PubChem CID23293344
Molecular FormulaC9H20N2
Molecular Weight156.27 g/mol
Exact Mass156.16
IUPAC Name4-(aminomethyl)-N,N-dimethylcyclohexan-1-amine
SMILESCN(C)C1CCC(CN)CC1
InChIInChI=1S/C9H20N2/c1-11(2)9-5-3-8(7-10)4-6-9/h8-9H,3-7,10H2,1-2H3
InChIKeyAQRWDLOWHDZKAQ-UHFFFAOYSA-N
XLogP1.07
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.27
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-N,N-dimethylcyclohexan-1-amine?
The IUPAC name of 4-(aminomethyl)-N,N-dimethylcyclohexan-1-amine (CID 23293344) is 4-(aminomethyl)-N,N-dimethylcyclohexan-1-amine.
What is the SMILES notation for 4-(aminomethyl)-N,N-dimethylcyclohexan-1-amine?
The canonical SMILES for 4-(aminomethyl)-N,N-dimethylcyclohexan-1-amine is CN(C)C1CCC(CN)CC1.
What is the InChIKey of 4-(aminomethyl)-N,N-dimethylcyclohexan-1-amine?
The InChIKey is AQRWDLOWHDZKAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2/c1-11(2)9-5-3-8(7-10)4-6-9/h8-9H,3-7,10H2,1-2H3.
What are the key properties of 4-(aminomethyl)-N,N-dimethylcyclohexan-1-amine?
4-(aminomethyl)-N,N-dimethylcyclohexan-1-amine has a molecular weight of 156.27 g/mol, XLogP of 1.07, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-N,N-dimethylcyclohexan-1-amine is sourced from PubChem (CID 23293344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).