N-[(3,5-dimethylcyclohex-3-en-1-yl)methyl]-2-ethylhexan-1-amine

C17H33N — CID 103276078

IUPACN-[(3,5-dimethylcyclohex-3-en-1-yl)methyl]-2-ethylhexan-1-amine
SMILESCCCCC(CC)CNCC1CC(C)=CC(C)C1
InChIInChI=1S/C17H33N/c1-5-7-8-16(6-2)12-18-13-17-10-14(3)9-15(4)11-17/h9,14,16-18H,5-8,10-13H2,1-4H3
InChIKeyGMZFTNVAUSVHLH-UHFFFAOYSA-N
MW251.46 g/mol
LogP4.78
Rot. Bonds8

About N-[(3,5-dimethylcyclohex-3-en-1-yl)methyl]-2-ethylhexan-1-amine

N-[(3,5-dimethylcyclohex-3-en-1-yl)methyl]-2-ethylhexan-1-amine (PubChem CID 103276078) has the molecular formula C17H33N and a molecular weight of 251.46 g/mol. Its IUPAC name is N-[(3,5-dimethylcyclohex-3-en-1-yl)methyl]-2-ethylhexan-1-amine.

Molecular Properties

Compound NameN-[(3,5-dimethylcyclohex-3-en-1-yl)methyl]-2-ethylhexan-1-amine
PubChem CID103276078
Molecular FormulaC17H33N
Molecular Weight251.46 g/mol
Exact Mass251.26
IUPAC NameN-[(3,5-dimethylcyclohex-3-en-1-yl)methyl]-2-ethylhexan-1-amine
SMILESCCCCC(CC)CNCC1CC(C)=CC(C)C1
InChIInChI=1S/C17H33N/c1-5-7-8-16(6-2)12-18-13-17-10-14(3)9-15(4)11-17/h9,14,16-18H,5-8,10-13H2,1-4H3
InChIKeyGMZFTNVAUSVHLH-UHFFFAOYSA-N
XLogP4.78
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.46
LogP ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze N-[(3,5-dimethylcyclohex-3-en-1-yl)methyl]-2-ethylhexan-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

N-[(3,5-dimethylcyclohex-3-en-1-yl)methyl]propan-1-amine
CID 103275920
N-[(3,5-dimethylcyclohex-3-en-1-yl)methyl]-3-methyl-2-propan-2-ylbutan-1-amine
CID 103277162
2-[(3,5-dimethylcyclohex-3-en-1-yl)methylamino]acetic acid
CID 103276172
N-[(4-chlorocyclohexyl)methyl]-2-ethylhexan-1-amine
CID 106123390
1-(3,5-dimethylcyclohex-3-en-1-yl)pentan-1-ol
CID 103277568
3-[[(3,5-dimethylcyclohex-3-en-1-yl)methylamino]methyl]cyclopentan-1-ol
CID 106121040
2-[(3,5-dimethylcyclohex-3-en-1-yl)methylamino]ethanesulfonamide
CID 103276204
1-(3,5-dimethylcyclohex-3-en-1-yl)-N-[(4-propan-2-ylphenyl)methyl]methanamine
CID 103276706
2-[(3,5-dimethylcyclohex-3-en-1-yl)methylamino]-1-pyrrolidin-1-ylethanone
CID 103277043
dihydroxy(dioxo)molybdenum;2-ethyl-N-(2-ethylhexyl)hexan-1-amine
CID 87301269
octakis(dihydroxy(dioxo)molybdenum);2-ethyl-N-(2-ethylhexyl)hexan-1-amine
CID 173007117
N,2-diethylhexan-1-amine
CID 14272988

Frequently Asked Questions

What is the IUPAC name of N-[(3,5-dimethylcyclohex-3-en-1-yl)methyl]-2-ethylhexan-1-amine?
The IUPAC name of N-[(3,5-dimethylcyclohex-3-en-1-yl)methyl]-2-ethylhexan-1-amine (CID 103276078) is N-[(3,5-dimethylcyclohex-3-en-1-yl)methyl]-2-ethylhexan-1-amine.
What is the SMILES notation for N-[(3,5-dimethylcyclohex-3-en-1-yl)methyl]-2-ethylhexan-1-amine?
The canonical SMILES for N-[(3,5-dimethylcyclohex-3-en-1-yl)methyl]-2-ethylhexan-1-amine is CCCCC(CC)CNCC1CC(C)=CC(C)C1.
What is the InChIKey of N-[(3,5-dimethylcyclohex-3-en-1-yl)methyl]-2-ethylhexan-1-amine?
The InChIKey is GMZFTNVAUSVHLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33N/c1-5-7-8-16(6-2)12-18-13-17-10-14(3)9-15(4)11-17/h9,14,16-18H,5-8,10-13H2,1-4H3.
What are the key properties of N-[(3,5-dimethylcyclohex-3-en-1-yl)methyl]-2-ethylhexan-1-amine?
N-[(3,5-dimethylcyclohex-3-en-1-yl)methyl]-2-ethylhexan-1-amine has a molecular weight of 251.46 g/mol, XLogP of 4.78, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,5-dimethylcyclohex-3-en-1-yl)methyl]-2-ethylhexan-1-amine is sourced from PubChem (CID 103276078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).