N,3,5-trimethyl-2-pentoxycyclohexan-1-amine

C14H29NO — CID 64753575

IUPACN,3,5-trimethyl-2-pentoxycyclohexan-1-amine
SMILESCCCCCOC1C(C)CC(C)CC1NC
InChIInChI=1S/C14H29NO/c1-5-6-7-8-16-14-12(3)9-11(2)10-13(14)15-4/h11-15H,5-10H2,1-4H3
InChIKeySYSIAXLWSJEVAR-UHFFFAOYSA-N
MW227.39 g/mol
LogP3.22
Rot. Bonds6

About N,3,5-trimethyl-2-pentoxycyclohexan-1-amine

N,3,5-trimethyl-2-pentoxycyclohexan-1-amine (PubChem CID 64753575) has the molecular formula C14H29NO and a molecular weight of 227.39 g/mol. Its IUPAC name is N,3,5-trimethyl-2-pentoxycyclohexan-1-amine.

Molecular Properties

Compound NameN,3,5-trimethyl-2-pentoxycyclohexan-1-amine
PubChem CID64753575
Molecular FormulaC14H29NO
Molecular Weight227.39 g/mol
Exact Mass227.22
IUPAC NameN,3,5-trimethyl-2-pentoxycyclohexan-1-amine
SMILESCCCCCOC1C(C)CC(C)CC1NC
InChIInChI=1S/C14H29NO/c1-5-6-7-8-16-14-12(3)9-11(2)10-13(14)15-4/h11-15H,5-10H2,1-4H3
InChIKeySYSIAXLWSJEVAR-UHFFFAOYSA-N
XLogP3.22
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.39
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N,3,5-trimethyl-2-pentoxycyclohexan-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

2-heptoxy-N,3,5-trimethylcyclohexan-1-amine
CID 64752776
N-ethyl-2-hexoxy-3,5-dimethylcyclohexan-1-amine
CID 64752582
2-(3-methoxypropoxy)-N,3,5-trimethylcyclohexan-1-amine
CID 64751601
2-heptoxy-3,5-dimethyl-N-propylcyclohexan-1-amine
CID 64752974
N-ethyl-3,5-dimethyl-2-(4-methylpentoxy)cyclohexan-1-amine
CID 64751794
N-ethyl-3,5-dimethyl-2-propoxycyclohexan-1-amine
CID 64753175
N,3,5-trimethyl-2-pentylsulfanylcyclohexan-1-amine
CID 107762877
2-(3,3-dimethylbutoxy)-N-ethyl-3,5-dimethylcyclohexan-1-amine
CID 66234496
3-heptoxy-N-methylcyclobutan-1-amine
CID 66356812
2-(2-cyclopropylethoxy)-3,5-dimethyl-N-propylcyclohexan-1-amine
CID 106200648
2-N-butyl-2-N-ethyl-1-N,3,5-trimethylcyclohexane-1,2-diamine
CID 64724627
2-ethoxy-N-ethyl-3,5-dimethylcyclohexan-1-amine
CID 64751781

Frequently Asked Questions

What is the IUPAC name of N,3,5-trimethyl-2-pentoxycyclohexan-1-amine?
The IUPAC name of N,3,5-trimethyl-2-pentoxycyclohexan-1-amine (CID 64753575) is N,3,5-trimethyl-2-pentoxycyclohexan-1-amine.
What is the SMILES notation for N,3,5-trimethyl-2-pentoxycyclohexan-1-amine?
The canonical SMILES for N,3,5-trimethyl-2-pentoxycyclohexan-1-amine is CCCCCOC1C(C)CC(C)CC1NC.
What is the InChIKey of N,3,5-trimethyl-2-pentoxycyclohexan-1-amine?
The InChIKey is SYSIAXLWSJEVAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29NO/c1-5-6-7-8-16-14-12(3)9-11(2)10-13(14)15-4/h11-15H,5-10H2,1-4H3.
What are the key properties of N,3,5-trimethyl-2-pentoxycyclohexan-1-amine?
N,3,5-trimethyl-2-pentoxycyclohexan-1-amine has a molecular weight of 227.39 g/mol, XLogP of 3.22, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,3,5-trimethyl-2-pentoxycyclohexan-1-amine is sourced from PubChem (CID 64753575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).