2,3,3-trimethyl-4-[[(1-methylcyclopentyl)methylamino]methyl]cyclohexan-1-amine

C17H34N2 — CID 102627893

IUPAC2,3,3-trimethyl-4-[[(1-methylcyclopentyl)methylamino]methyl]cyclohexan-1-amine
SMILESCC1C(N)CCC(CNCC2(C)CCCC2)C1(C)C
InChIInChI=1S/C17H34N2/c1-13-15(18)8-7-14(16(13,2)3)11-19-12-17(4)9-5-6-10-17/h13-15,19H,5-12,18H2,1-4H3
InChIKeyOTINJJRCLATDQL-UHFFFAOYSA-N
MW266.47 g/mol
LogP3.56
Rot. Bonds4

About 2,3,3-trimethyl-4-[[(1-methylcyclopentyl)methylamino]methyl]cyclohexan-1-amine

2,3,3-trimethyl-4-[[(1-methylcyclopentyl)methylamino]methyl]cyclohexan-1-amine (PubChem CID 102627893) has the molecular formula C17H34N2 and a molecular weight of 266.47 g/mol. Its IUPAC name is 2,3,3-trimethyl-4-[[(1-methylcyclopentyl)methylamino]methyl]cyclohexan-1-amine.

Molecular Properties

Compound Name2,3,3-trimethyl-4-[[(1-methylcyclopentyl)methylamino]methyl]cyclohexan-1-amine
PubChem CID102627893
Molecular FormulaC17H34N2
Molecular Weight266.47 g/mol
Exact Mass266.27
IUPAC Name2,3,3-trimethyl-4-[[(1-methylcyclopentyl)methylamino]methyl]cyclohexan-1-amine
SMILESCC1C(N)CCC(CNCC2(C)CCCC2)C1(C)C
InChIInChI=1S/C17H34N2/c1-13-15(18)8-7-14(16(13,2)3)11-19-12-17(4)9-5-6-10-17/h13-15,19H,5-12,18H2,1-4H3
InChIKeyOTINJJRCLATDQL-UHFFFAOYSA-N
XLogP3.56
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.47
LogP ≤ 53.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2,3,3-trimethyl-4-[[(2-methyloxolan-2-yl)methylamino]methyl]cyclohexan-1-amine
CID 102627953
2,3,3-trimethyl-4-[(oxolan-2-ylmethylamino)methyl]cyclohexan-1-amine
CID 102627692
4-[(3-cyclopropylpropylamino)methyl]-2,3,3-trimethylcyclohexan-1-amine
CID 102628023
2,3,3-trimethyl-4-[(oxan-2-ylmethylamino)methyl]cyclohexan-1-amine
CID 102627798
[(1R,3R,4R)-4-amino-2,2,3-trimethylcyclohexyl]methanol
CID 98289832
1-cyclopentyl-N-[(1-methylcyclopentyl)methyl]methanamine
CID 63822365
4-[[(3-bromothiophen-2-yl)methylamino]methyl]-2,3,3-trimethylcyclohexan-1-amine
CID 102627967
3-[[(1-methylcyclopentyl)methylamino]methyl]cyclohexan-1-amine
CID 63831792
2-methyl-2-[[(1-methylcyclohexyl)methylamino]methyl]cyclopentan-1-amine
CID 114095002
2,3,3-trimethyl-4-[[(2-methyl-1,3-thiazol-5-yl)methylamino]methyl]cyclohexan-1-amine
CID 102627757
2,3,3-trimethyl-4-[[2-(1,3-thiazol-4-yl)ethylamino]methyl]cyclohexan-1-amine
CID 102627895
4-(azepan-1-ylmethyl)-2,3,3-trimethylcyclohexan-1-amine
CID 102627583

Frequently Asked Questions

What is the IUPAC name of 2,3,3-trimethyl-4-[[(1-methylcyclopentyl)methylamino]methyl]cyclohexan-1-amine?
The IUPAC name of 2,3,3-trimethyl-4-[[(1-methylcyclopentyl)methylamino]methyl]cyclohexan-1-amine (CID 102627893) is 2,3,3-trimethyl-4-[[(1-methylcyclopentyl)methylamino]methyl]cyclohexan-1-amine.
What is the SMILES notation for 2,3,3-trimethyl-4-[[(1-methylcyclopentyl)methylamino]methyl]cyclohexan-1-amine?
The canonical SMILES for 2,3,3-trimethyl-4-[[(1-methylcyclopentyl)methylamino]methyl]cyclohexan-1-amine is CC1C(N)CCC(CNCC2(C)CCCC2)C1(C)C.
What is the InChIKey of 2,3,3-trimethyl-4-[[(1-methylcyclopentyl)methylamino]methyl]cyclohexan-1-amine?
The InChIKey is OTINJJRCLATDQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34N2/c1-13-15(18)8-7-14(16(13,2)3)11-19-12-17(4)9-5-6-10-17/h13-15,19H,5-12,18H2,1-4H3.
What are the key properties of 2,3,3-trimethyl-4-[[(1-methylcyclopentyl)methylamino]methyl]cyclohexan-1-amine?
2,3,3-trimethyl-4-[[(1-methylcyclopentyl)methylamino]methyl]cyclohexan-1-amine has a molecular weight of 266.47 g/mol, XLogP of 3.56, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,3-trimethyl-4-[[(1-methylcyclopentyl)methylamino]methyl]cyclohexan-1-amine is sourced from PubChem (CID 102627893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).