[4-(aminomethyl)-4-methylcyclohexyl]methanamine

C9H20N2 — CID 123492077

IUPAC[4-(aminomethyl)-4-methylcyclohexyl]methanamine
SMILESCC1(CN)CCC(CN)CC1
InChIInChI=1S/C9H20N2/c1-9(7-11)4-2-8(6-10)3-5-9/h8H,2-7,10-11H2,1H3
InChIKeyPROHLIZJNRAEBI-UHFFFAOYSA-N
MW156.27 g/mol
LogP1.10
Rot. Bonds2

About [4-(aminomethyl)-4-methylcyclohexyl]methanamine

[4-(aminomethyl)-4-methylcyclohexyl]methanamine (PubChem CID 123492077) has the molecular formula C9H20N2 and a molecular weight of 156.27 g/mol. Its IUPAC name is [4-(aminomethyl)-4-methylcyclohexyl]methanamine.

Molecular Properties

Compound Name[4-(aminomethyl)-4-methylcyclohexyl]methanamine
PubChem CID123492077
Molecular FormulaC9H20N2
Molecular Weight156.27 g/mol
Exact Mass156.16
IUPAC Name[4-(aminomethyl)-4-methylcyclohexyl]methanamine
SMILESCC1(CN)CCC(CN)CC1
InChIInChI=1S/C9H20N2/c1-9(7-11)4-2-8(6-10)3-5-9/h8H,2-7,10-11H2,1H3
InChIKeyPROHLIZJNRAEBI-UHFFFAOYSA-N
XLogP1.10
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.27
LogP ≤ 51.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

Isophorone diamine
CID 17857
2,4,4-Trimethyl-1,6-hexanediamine
CID 76714
2,2,4-Trimethyl-1,6-hexanediamine
CID 92950
1,3-Bis(aminomethyl)cyclohexane
CID 17406
1,4-Cyclohexanedimethanamine
CID 17354
Cyclohexanamine, 3,3,5-trimethyl-
CID 85931
(Spiro(5.5)undecan-3-yl)methanamine
CID 56639660
[1-(Aminomethyl)cyclohexyl]methanamine
CID 71994
4,4-Dimethylcyclohexan-1-amine
CID 421054
4-Methylcyclohexanemethanamine
CID 19703199
Rac-1-((1r,4r)-4-methylcyclohexyl)methanamine hydrochloride
CID 76145186
cis-1,3-Bis(aminomethyl)cyclohexane
CID 6951508

Frequently Asked Questions

What is the IUPAC name of [4-(aminomethyl)-4-methylcyclohexyl]methanamine?
The IUPAC name of [4-(aminomethyl)-4-methylcyclohexyl]methanamine (CID 123492077) is [4-(aminomethyl)-4-methylcyclohexyl]methanamine.
What is the SMILES notation for [4-(aminomethyl)-4-methylcyclohexyl]methanamine?
The canonical SMILES for [4-(aminomethyl)-4-methylcyclohexyl]methanamine is CC1(CN)CCC(CN)CC1.
What is the InChIKey of [4-(aminomethyl)-4-methylcyclohexyl]methanamine?
The InChIKey is PROHLIZJNRAEBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2/c1-9(7-11)4-2-8(6-10)3-5-9/h8H,2-7,10-11H2,1H3.
What are the key properties of [4-(aminomethyl)-4-methylcyclohexyl]methanamine?
[4-(aminomethyl)-4-methylcyclohexyl]methanamine has a molecular weight of 156.27 g/mol, XLogP of 1.10, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(aminomethyl)-4-methylcyclohexyl]methanamine is sourced from PubChem (CID 123492077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).