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

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Related Compounds

3-ethyl-2-N,2-N-dimethyl-1-N-[3-(trifluoromethyl)cyclohexyl]pentane-1,2-diamine
CID 64759598
3-ethyl-2-N,2-N-dimethyl-1-N-(oxepan-4-yl)pentane-1,2-diamine
CID 65076947
1-N-(3,5-dimethylcyclohexyl)-3-ethyl-2-N,2-N-dimethylpentane-1,2-diamine
CID 64724628
1-N-cyclohexyl-2-N,2-N,3-trimethylbutane-1,2-diamine
CID 43205547
3-methoxy-N-(2-phenylpropyl)cyclohexan-1-amine
CID 104591432
1-[(3-methoxycyclohexyl)amino]-2-methylpropan-2-ol
CID 65107402
N-[(4-ethylphenyl)methyl]-3-methoxycyclohexan-1-amine
CID 113286117
1-N-cyclopentyl-2-N,2-N-dimethylpropane-1,2-diamine
CID 61044044
(2S)-1-N-cyclobutylbutane-1,2-diamine
CID 94424015
N,N-diethyl-2-[(3-methoxycyclohexyl)amino]propanamide
CID 112703045
1-N-(6-bicyclo[3.2.0]hept-3-enyl)-3-ethyl-2-N,2-N-dimethylpentane-1,2-diamine
CID 43771706
2-N,2-N,3-trimethyl-1-N-(4-methylcyclohexyl)butane-1,2-diamine
CID 43205434

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).