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

C18H34N2 — CID 102627905

IUPAC4-[[bis(cyclopropylmethyl)amino]methyl]-2,3,3-trimethylcyclohexan-1-amine
SMILESCC1C(N)CCC(CN(CC2CC2)CC2CC2)C1(C)C
InChIInChI=1S/C18H34N2/c1-13-17(19)9-8-16(18(13,2)3)12-20(10-14-4-5-14)11-15-6-7-15/h13-17H,4-12,19H2,1-3H3
InChIKeyUCCBVOGBBONWKU-UHFFFAOYSA-N
MW278.48 g/mol
LogP3.51
Rot. Bonds6

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

4-[[bis(cyclopropylmethyl)amino]methyl]-2,3,3-trimethylcyclohexan-1-amine (PubChem CID 102627905) has the molecular formula C18H34N2 and a molecular weight of 278.48 g/mol. Its IUPAC name is 4-[[bis(cyclopropylmethyl)amino]methyl]-2,3,3-trimethylcyclohexan-1-amine.

Molecular Properties

Compound Name4-[[bis(cyclopropylmethyl)amino]methyl]-2,3,3-trimethylcyclohexan-1-amine
PubChem CID102627905
Molecular FormulaC18H34N2
Molecular Weight278.48 g/mol
Exact Mass278.27
IUPAC Name4-[[bis(cyclopropylmethyl)amino]methyl]-2,3,3-trimethylcyclohexan-1-amine
SMILESCC1C(N)CCC(CN(CC2CC2)CC2CC2)C1(C)C
InChIInChI=1S/C18H34N2/c1-13-17(19)9-8-16(18(13,2)3)12-20(10-14-4-5-14)11-15-6-7-15/h13-17H,4-12,19H2,1-3H3
InChIKeyUCCBVOGBBONWKU-UHFFFAOYSA-N
XLogP3.51
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.48
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4-[[bis(cyclopropylmethyl)amino]methyl]-2,3,3-trimethylcyclohexan-1-amine with MolForge

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Related Compounds

4-[[cyclohexylmethyl(methyl)amino]methyl]-2,3,3-trimethylcyclohexan-1-amine
CID 102627741
4-[[ethyl(2-methylbutyl)amino]methyl]-2,3,3-trimethylcyclohexan-1-amine
CID 102627942
[(1R,3R,4R)-4-amino-2,2,3-trimethylcyclohexyl]methanol
CID 98289832
2,3,3-trimethyl-4-[[methyl(oxan-3-ylmethyl)amino]methyl]cyclohexan-1-amine
CID 102627890
4-[[cyclopropyl(3-methylbutyl)amino]methyl]-2,3,3-trimethylcyclohexan-1-amine
CID 102627783
4-[[ethyl(pyridin-2-ylmethyl)amino]methyl]-2,3,3-trimethylcyclohexan-1-amine
CID 102627963
4-[(3-cyclopropylpropylamino)methyl]-2,3,3-trimethylcyclohexan-1-amine
CID 102628023
4-[[(4-chlorophenyl)methyl-methylamino]methyl]-2,3,3-trimethylcyclohexan-1-amine
CID 102627706
2,3,3-trimethyl-4-[[methyl(2-phenylethyl)amino]methyl]cyclohexan-1-amine
CID 102627924
4-[[(2-bromophenyl)methyl-methylamino]methyl]-2,3,3-trimethylcyclohexan-1-amine
CID 102627710
4-(azepan-1-ylmethyl)-2,3,3-trimethylcyclohexan-1-amine
CID 102627583
2,3,3-trimethyl-4-[[(1-methylcyclopentyl)methylamino]methyl]cyclohexan-1-amine
CID 102627893

Frequently Asked Questions

What is the IUPAC name of 4-[[bis(cyclopropylmethyl)amino]methyl]-2,3,3-trimethylcyclohexan-1-amine?
The IUPAC name of 4-[[bis(cyclopropylmethyl)amino]methyl]-2,3,3-trimethylcyclohexan-1-amine (CID 102627905) is 4-[[bis(cyclopropylmethyl)amino]methyl]-2,3,3-trimethylcyclohexan-1-amine.
What is the SMILES notation for 4-[[bis(cyclopropylmethyl)amino]methyl]-2,3,3-trimethylcyclohexan-1-amine?
The canonical SMILES for 4-[[bis(cyclopropylmethyl)amino]methyl]-2,3,3-trimethylcyclohexan-1-amine is CC1C(N)CCC(CN(CC2CC2)CC2CC2)C1(C)C.
What is the InChIKey of 4-[[bis(cyclopropylmethyl)amino]methyl]-2,3,3-trimethylcyclohexan-1-amine?
The InChIKey is UCCBVOGBBONWKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H34N2/c1-13-17(19)9-8-16(18(13,2)3)12-20(10-14-4-5-14)11-15-6-7-15/h13-17H,4-12,19H2,1-3H3.
What are the key properties of 4-[[bis(cyclopropylmethyl)amino]methyl]-2,3,3-trimethylcyclohexan-1-amine?
4-[[bis(cyclopropylmethyl)amino]methyl]-2,3,3-trimethylcyclohexan-1-amine has a molecular weight of 278.48 g/mol, XLogP of 3.51, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[bis(cyclopropylmethyl)amino]methyl]-2,3,3-trimethylcyclohexan-1-amine is sourced from PubChem (CID 102627905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).