3,3,5-trimethyl-5-[(propan-2-ylamino)methyl]-1-propylcyclohexan-1-amine

C16H34N2 — CID 69088655

IUPAC3,3,5-trimethyl-5-[(propan-2-ylamino)methyl]-1-propylcyclohexan-1-amine
SMILESCCCC1(N)CC(C)(C)CC(C)(CNC(C)C)C1
InChIInChI=1S/C16H34N2/c1-7-8-16(17)10-14(4,5)9-15(6,11-16)12-18-13(2)3/h13,18H,7-12,17H2,1-6H3
InChIKeyOLRKHPGVFNOBNC-UHFFFAOYSA-N
MW254.46 g/mol
LogP3.70
Rot. Bonds5

About 3,3,5-trimethyl-5-[(propan-2-ylamino)methyl]-1-propylcyclohexan-1-amine

3,3,5-trimethyl-5-[(propan-2-ylamino)methyl]-1-propylcyclohexan-1-amine (PubChem CID 69088655) has the molecular formula C16H34N2 and a molecular weight of 254.46 g/mol. Its IUPAC name is 3,3,5-trimethyl-5-[(propan-2-ylamino)methyl]-1-propylcyclohexan-1-amine.

Molecular Properties

Compound Name3,3,5-trimethyl-5-[(propan-2-ylamino)methyl]-1-propylcyclohexan-1-amine
PubChem CID69088655
Molecular FormulaC16H34N2
Molecular Weight254.46 g/mol
Exact Mass254.27
IUPAC Name3,3,5-trimethyl-5-[(propan-2-ylamino)methyl]-1-propylcyclohexan-1-amine
SMILESCCCC1(N)CC(C)(C)CC(C)(CNC(C)C)C1
InChIInChI=1S/C16H34N2/c1-7-8-16(17)10-14(4,5)9-15(6,11-16)12-18-13(2)3/h13,18H,7-12,17H2,1-6H3
InChIKeyOLRKHPGVFNOBNC-UHFFFAOYSA-N
XLogP3.70
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.46
LogP ≤ 53.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 3,3,5-trimethyl-5-[(propan-2-ylamino)methyl]-1-propylcyclohexan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-decyl-3,3,5,5-tetramethylcyclohexan-1-amine
CID 103961186
N-[2-(1-methylcyclopropyl)ethyl]propan-2-amine
CID 130702275
4,4-dimethyl-1-propylcycloheptan-1-amine
CID 65084317
ethane;2-methylpropane;1-methyl-1-propylcyclopropane
CID 156713855
azane;1-propylcyclopentan-1-amine
CID 118268242
1-butyl-1,3,3-trimethylcyclobutane
CID 91249753
1,1,3-trimethyl-3-propylcyclopentane
CID 123680922
1-ethyl-3,3,5,5-tetramethylcyclohexan-1-amine;methanesulfonic acid
CID 87177693
1,1,3-trimethyl-3-(2-propylpentyl)cyclobutane
CID 123142575
2-N-[(1-methylcyclohexyl)methyl]propane-1,2-diamine
CID 106827234
N-[(1-dodecylcyclobutyl)methyl]propan-2-amine
CID 65194668
N-[(1-ethylcyclopropyl)methyl]propan-2-amine
CID 66026004

Frequently Asked Questions

What is the IUPAC name of 3,3,5-trimethyl-5-[(propan-2-ylamino)methyl]-1-propylcyclohexan-1-amine?
The IUPAC name of 3,3,5-trimethyl-5-[(propan-2-ylamino)methyl]-1-propylcyclohexan-1-amine (CID 69088655) is 3,3,5-trimethyl-5-[(propan-2-ylamino)methyl]-1-propylcyclohexan-1-amine.
What is the SMILES notation for 3,3,5-trimethyl-5-[(propan-2-ylamino)methyl]-1-propylcyclohexan-1-amine?
The canonical SMILES for 3,3,5-trimethyl-5-[(propan-2-ylamino)methyl]-1-propylcyclohexan-1-amine is CCCC1(N)CC(C)(C)CC(C)(CNC(C)C)C1.
What is the InChIKey of 3,3,5-trimethyl-5-[(propan-2-ylamino)methyl]-1-propylcyclohexan-1-amine?
The InChIKey is OLRKHPGVFNOBNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34N2/c1-7-8-16(17)10-14(4,5)9-15(6,11-16)12-18-13(2)3/h13,18H,7-12,17H2,1-6H3.
What are the key properties of 3,3,5-trimethyl-5-[(propan-2-ylamino)methyl]-1-propylcyclohexan-1-amine?
3,3,5-trimethyl-5-[(propan-2-ylamino)methyl]-1-propylcyclohexan-1-amine has a molecular weight of 254.46 g/mol, XLogP of 3.70, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,5-trimethyl-5-[(propan-2-ylamino)methyl]-1-propylcyclohexan-1-amine is sourced from PubChem (CID 69088655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).