N,N,4-trimethylcyclohexan-1-amine

C9H19N — CID 3742989

IUPACN,N,4-trimethylcyclohexan-1-amine
SMILESCC1CCC(N(C)C)CC1
InChIInChI=1S/C9H19N/c1-8-4-6-9(7-5-8)10(2)3/h8-9H,4-7H2,1-3H3
InChIKeyXIHHDIPVRCDUOT-UHFFFAOYSA-N
MW141.26 g/mol
LogP2.13
Rot. Bonds1

About N,N,4-trimethylcyclohexan-1-amine

N,N,4-trimethylcyclohexan-1-amine (PubChem CID 3742989) has the molecular formula C9H19N and a molecular weight of 141.26 g/mol. Its IUPAC name is N,N,4-trimethylcyclohexan-1-amine.

Molecular Properties

Compound NameN,N,4-trimethylcyclohexan-1-amine
PubChem CID3742989
Molecular FormulaC9H19N
Molecular Weight141.26 g/mol
Exact Mass141.15
IUPAC NameN,N,4-trimethylcyclohexan-1-amine
SMILESCC1CCC(N(C)C)CC1
InChIInChI=1S/C9H19N/c1-8-4-6-9(7-5-8)10(2)3/h8-9H,4-7H2,1-3H3
InChIKeyXIHHDIPVRCDUOT-UHFFFAOYSA-N
XLogP2.13
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.26
LogP ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N,N,4-trimethylcyclohexan-1-amine?
The IUPAC name of N,N,4-trimethylcyclohexan-1-amine (CID 3742989) is N,N,4-trimethylcyclohexan-1-amine.
What is the SMILES notation for N,N,4-trimethylcyclohexan-1-amine?
The canonical SMILES for N,N,4-trimethylcyclohexan-1-amine is CC1CCC(N(C)C)CC1.
What is the InChIKey of N,N,4-trimethylcyclohexan-1-amine?
The InChIKey is XIHHDIPVRCDUOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N/c1-8-4-6-9(7-5-8)10(2)3/h8-9H,4-7H2,1-3H3.
What are the key properties of N,N,4-trimethylcyclohexan-1-amine?
N,N,4-trimethylcyclohexan-1-amine has a molecular weight of 141.26 g/mol, XLogP of 2.13, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,4-trimethylcyclohexan-1-amine is sourced from PubChem (CID 3742989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).