(1,2,2-trimethylcyclohexyl)methanediamine

C10H22N2 — CID 142614010

IUPAC(1,2,2-trimethylcyclohexyl)methanediamine
SMILESCC1(C)CCCCC1(C)C(N)N
InChIInChI=1S/C10H22N2/c1-9(2)6-4-5-7-10(9,3)8(11)12/h8H,4-7,11-12H2,1-3H3
InChIKeyTXYCOAGDEIPFCS-UHFFFAOYSA-N
MW170.30 g/mol
LogP1.84
Rot. Bonds1

About (1,2,2-trimethylcyclohexyl)methanediamine

(1,2,2-trimethylcyclohexyl)methanediamine (PubChem CID 142614010) has the molecular formula C10H22N2 and a molecular weight of 170.30 g/mol. Its IUPAC name is (1,2,2-trimethylcyclohexyl)methanediamine.

Molecular Properties

Compound Name(1,2,2-trimethylcyclohexyl)methanediamine
PubChem CID142614010
Molecular FormulaC10H22N2
Molecular Weight170.30 g/mol
Exact Mass170.18
IUPAC Name(1,2,2-trimethylcyclohexyl)methanediamine
SMILESCC1(C)CCCCC1(C)C(N)N
InChIInChI=1S/C10H22N2/c1-9(2)6-4-5-7-10(9,3)8(11)12/h8H,4-7,11-12H2,1-3H3
InChIKeyTXYCOAGDEIPFCS-UHFFFAOYSA-N
XLogP1.84
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.30
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (1,2,2-trimethylcyclohexyl)methanediamine?
The IUPAC name of (1,2,2-trimethylcyclohexyl)methanediamine (CID 142614010) is (1,2,2-trimethylcyclohexyl)methanediamine.
What is the SMILES notation for (1,2,2-trimethylcyclohexyl)methanediamine?
The canonical SMILES for (1,2,2-trimethylcyclohexyl)methanediamine is CC1(C)CCCCC1(C)C(N)N.
What is the InChIKey of (1,2,2-trimethylcyclohexyl)methanediamine?
The InChIKey is TXYCOAGDEIPFCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2/c1-9(2)6-4-5-7-10(9,3)8(11)12/h8H,4-7,11-12H2,1-3H3.
What are the key properties of (1,2,2-trimethylcyclohexyl)methanediamine?
(1,2,2-trimethylcyclohexyl)methanediamine has a molecular weight of 170.30 g/mol, XLogP of 1.84, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1,2,2-trimethylcyclohexyl)methanediamine is sourced from PubChem (CID 142614010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).