3-ethyl-1-N-(3-methoxycyclohexyl)-2-N,2-N-dimethylpentane-1,2-diamine

C16H34N2O — CID 106871598

IUPAC3-ethyl-1-N-(3-methoxycyclohexyl)-2-N,2-N-dimethylpentane-1,2-diamine
SMILESCCC(CC)C(CNC1CCCC(OC)C1)N(C)C
InChIInChI=1S/C16H34N2O/c1-6-13(7-2)16(18(3)4)12-17-14-9-8-10-15(11-14)19-5/h13-17H,6-12H2,1-5H3
InChIKeyPKWKKGKFTPHIIB-UHFFFAOYSA-N
MW270.46 g/mol
LogP2.90
Rot. Bonds8

About 3-ethyl-1-N-(3-methoxycyclohexyl)-2-N,2-N-dimethylpentane-1,2-diamine

3-ethyl-1-N-(3-methoxycyclohexyl)-2-N,2-N-dimethylpentane-1,2-diamine (PubChem CID 106871598) has the molecular formula C16H34N2O and a molecular weight of 270.46 g/mol. Its IUPAC name is 3-ethyl-1-N-(3-methoxycyclohexyl)-2-N,2-N-dimethylpentane-1,2-diamine.

Molecular Properties

Compound Name3-ethyl-1-N-(3-methoxycyclohexyl)-2-N,2-N-dimethylpentane-1,2-diamine
PubChem CID106871598
Molecular FormulaC16H34N2O
Molecular Weight270.46 g/mol
Exact Mass270.27
IUPAC Name3-ethyl-1-N-(3-methoxycyclohexyl)-2-N,2-N-dimethylpentane-1,2-diamine
SMILESCCC(CC)C(CNC1CCCC(OC)C1)N(C)C
InChIInChI=1S/C16H34N2O/c1-6-13(7-2)16(18(3)4)12-17-14-9-8-10-15(11-14)19-5/h13-17H,6-12H2,1-5H3
InChIKeyPKWKKGKFTPHIIB-UHFFFAOYSA-N
XLogP2.90
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.46
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-ethyl-1-N-(3-methoxycyclohexyl)-2-N,2-N-dimethylpentane-1,2-diamine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1-N-(3-methoxycyclohexyl)-2-N,2-N-dimethylpentane-1,2-diamine?
The IUPAC name of 3-ethyl-1-N-(3-methoxycyclohexyl)-2-N,2-N-dimethylpentane-1,2-diamine (CID 106871598) is 3-ethyl-1-N-(3-methoxycyclohexyl)-2-N,2-N-dimethylpentane-1,2-diamine.
What is the SMILES notation for 3-ethyl-1-N-(3-methoxycyclohexyl)-2-N,2-N-dimethylpentane-1,2-diamine?
The canonical SMILES for 3-ethyl-1-N-(3-methoxycyclohexyl)-2-N,2-N-dimethylpentane-1,2-diamine is CCC(CC)C(CNC1CCCC(OC)C1)N(C)C.
What is the InChIKey of 3-ethyl-1-N-(3-methoxycyclohexyl)-2-N,2-N-dimethylpentane-1,2-diamine?
The InChIKey is PKWKKGKFTPHIIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34N2O/c1-6-13(7-2)16(18(3)4)12-17-14-9-8-10-15(11-14)19-5/h13-17H,6-12H2,1-5H3.
What are the key properties of 3-ethyl-1-N-(3-methoxycyclohexyl)-2-N,2-N-dimethylpentane-1,2-diamine?
3-ethyl-1-N-(3-methoxycyclohexyl)-2-N,2-N-dimethylpentane-1,2-diamine has a molecular weight of 270.46 g/mol, XLogP of 2.90, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1-N-(3-methoxycyclohexyl)-2-N,2-N-dimethylpentane-1,2-diamine is sourced from PubChem (CID 106871598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).