4-[[cyclohexylmethyl(methyl)amino]methyl]-2,3,3-trimethylcyclohexan-1-amine

C18H36N2 — CID 102627741

IUPAC4-[[cyclohexylmethyl(methyl)amino]methyl]-2,3,3-trimethylcyclohexan-1-amine
SMILESCC1C(N)CCC(CN(C)CC2CCCCC2)C1(C)C
InChIInChI=1S/C18H36N2/c1-14-17(19)11-10-16(18(14,2)3)13-20(4)12-15-8-6-5-7-9-15/h14-17H,5-13,19H2,1-4H3
InChIKeyQNIZRUSVMNURNC-UHFFFAOYSA-N
MW280.50 g/mol
LogP3.90
Rot. Bonds4

About 4-[[cyclohexylmethyl(methyl)amino]methyl]-2,3,3-trimethylcyclohexan-1-amine

4-[[cyclohexylmethyl(methyl)amino]methyl]-2,3,3-trimethylcyclohexan-1-amine (PubChem CID 102627741) has the molecular formula C18H36N2 and a molecular weight of 280.50 g/mol. Its IUPAC name is 4-[[cyclohexylmethyl(methyl)amino]methyl]-2,3,3-trimethylcyclohexan-1-amine.

Molecular Properties

Compound Name4-[[cyclohexylmethyl(methyl)amino]methyl]-2,3,3-trimethylcyclohexan-1-amine
PubChem CID102627741
Molecular FormulaC18H36N2
Molecular Weight280.50 g/mol
Exact Mass280.29
IUPAC Name4-[[cyclohexylmethyl(methyl)amino]methyl]-2,3,3-trimethylcyclohexan-1-amine
SMILESCC1C(N)CCC(CN(C)CC2CCCCC2)C1(C)C
InChIInChI=1S/C18H36N2/c1-14-17(19)11-10-16(18(14,2)3)13-20(4)12-15-8-6-5-7-9-15/h14-17H,5-13,19H2,1-4H3
InChIKeyQNIZRUSVMNURNC-UHFFFAOYSA-N
XLogP3.90
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.50
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[[cyclohexylmethyl(methyl)amino]methyl]-2,3,3-trimethylcyclohexan-1-amine?
The IUPAC name of 4-[[cyclohexylmethyl(methyl)amino]methyl]-2,3,3-trimethylcyclohexan-1-amine (CID 102627741) is 4-[[cyclohexylmethyl(methyl)amino]methyl]-2,3,3-trimethylcyclohexan-1-amine.
What is the SMILES notation for 4-[[cyclohexylmethyl(methyl)amino]methyl]-2,3,3-trimethylcyclohexan-1-amine?
The canonical SMILES for 4-[[cyclohexylmethyl(methyl)amino]methyl]-2,3,3-trimethylcyclohexan-1-amine is CC1C(N)CCC(CN(C)CC2CCCCC2)C1(C)C.
What is the InChIKey of 4-[[cyclohexylmethyl(methyl)amino]methyl]-2,3,3-trimethylcyclohexan-1-amine?
The InChIKey is QNIZRUSVMNURNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H36N2/c1-14-17(19)11-10-16(18(14,2)3)13-20(4)12-15-8-6-5-7-9-15/h14-17H,5-13,19H2,1-4H3.
What are the key properties of 4-[[cyclohexylmethyl(methyl)amino]methyl]-2,3,3-trimethylcyclohexan-1-amine?
4-[[cyclohexylmethyl(methyl)amino]methyl]-2,3,3-trimethylcyclohexan-1-amine has a molecular weight of 280.50 g/mol, XLogP of 3.90, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[cyclohexylmethyl(methyl)amino]methyl]-2,3,3-trimethylcyclohexan-1-amine is sourced from PubChem (CID 102627741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).