N-(2,2-dimethylcyclopropyl)-3,3,5-trimethylcyclohexan-1-amine

C14H27N — CID 61222833

IUPACN-(2,2-dimethylcyclopropyl)-3,3,5-trimethylcyclohexan-1-amine
SMILESCC1CC(NC2CC2(C)C)CC(C)(C)C1
InChIInChI=1S/C14H27N/c1-10-6-11(8-13(2,3)7-10)15-12-9-14(12,4)5/h10-12,15H,6-9H2,1-5H3
InChIKeyPJDGBUPRQSUDLG-UHFFFAOYSA-N
MW209.38 g/mol
LogP3.59
Rot. Bonds2

About N-(2,2-dimethylcyclopropyl)-3,3,5-trimethylcyclohexan-1-amine

N-(2,2-dimethylcyclopropyl)-3,3,5-trimethylcyclohexan-1-amine (PubChem CID 61222833) has the molecular formula C14H27N and a molecular weight of 209.38 g/mol. Its IUPAC name is N-(2,2-dimethylcyclopropyl)-3,3,5-trimethylcyclohexan-1-amine.

Molecular Properties

Compound NameN-(2,2-dimethylcyclopropyl)-3,3,5-trimethylcyclohexan-1-amine
PubChem CID61222833
Molecular FormulaC14H27N
Molecular Weight209.38 g/mol
Exact Mass209.21
IUPAC NameN-(2,2-dimethylcyclopropyl)-3,3,5-trimethylcyclohexan-1-amine
SMILESCC1CC(NC2CC2(C)C)CC(C)(C)C1
InChIInChI=1S/C14H27N/c1-10-6-11(8-13(2,3)7-10)15-12-9-14(12,4)5/h10-12,15H,6-9H2,1-5H3
InChIKeyPJDGBUPRQSUDLG-UHFFFAOYSA-N
XLogP3.59
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.38
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-cyclohexyl-3,3,5-trimethylcyclohexan-1-amine
CID 43080538
N-(3,3,5-trimethylcyclohexyl)cycloheptanamine
CID 43081420
4-N-(3,3,5-trimethylcyclohexyl)cyclohexane-1,4-diamine
CID 62314944
N-(3,3,5-trimethylcyclohexyl)tricyclo[3.2.1.02,4]octan-3-amine
CID 114095713
4-[(3,3,5-trimethylcyclohexyl)amino]oxolan-3-ol
CID 115923407
N-[(1R,5S)-3,3,5-trimethylcyclohexyl]acetamide
CID 67074228
1-cyclohexyl-2-(3,3,5-trimethylcyclohexyl)hydrazine
CID 70127038
N'-(3,3,5-trimethylcyclohexyl)ethane-1,2-diamine
CID 60887199
N-(3,3,5-trimethylcyclohexyl)piperidin-1-amine
CID 83006874
1,1,3-trimethylcyclobutane
CID 12656861
(2S)-2-[[(1S,5S)-3,3,5-trimethylcyclohexyl]amino]propan-1-ol
CID 93082557
(2R)-2-[(3,3,5-trimethylcyclohexyl)amino]propan-1-ol
CID 114985548

Frequently Asked Questions

What is the IUPAC name of N-(2,2-dimethylcyclopropyl)-3,3,5-trimethylcyclohexan-1-amine?
The IUPAC name of N-(2,2-dimethylcyclopropyl)-3,3,5-trimethylcyclohexan-1-amine (CID 61222833) is N-(2,2-dimethylcyclopropyl)-3,3,5-trimethylcyclohexan-1-amine.
What is the SMILES notation for N-(2,2-dimethylcyclopropyl)-3,3,5-trimethylcyclohexan-1-amine?
The canonical SMILES for N-(2,2-dimethylcyclopropyl)-3,3,5-trimethylcyclohexan-1-amine is CC1CC(NC2CC2(C)C)CC(C)(C)C1.
What is the InChIKey of N-(2,2-dimethylcyclopropyl)-3,3,5-trimethylcyclohexan-1-amine?
The InChIKey is PJDGBUPRQSUDLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N/c1-10-6-11(8-13(2,3)7-10)15-12-9-14(12,4)5/h10-12,15H,6-9H2,1-5H3.
What are the key properties of N-(2,2-dimethylcyclopropyl)-3,3,5-trimethylcyclohexan-1-amine?
N-(2,2-dimethylcyclopropyl)-3,3,5-trimethylcyclohexan-1-amine has a molecular weight of 209.38 g/mol, XLogP of 3.59, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-dimethylcyclopropyl)-3,3,5-trimethylcyclohexan-1-amine is sourced from PubChem (CID 61222833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).