3-ethyl-2-N,2-N-dimethyl-1-N-(oxepan-4-yl)pentane-1,2-diamine

C15H32N2O — CID 65076947

IUPAC3-ethyl-2-N,2-N-dimethyl-1-N-(oxepan-4-yl)pentane-1,2-diamine
SMILESCCC(CC)C(CNC1CCCOCC1)N(C)C
InChIInChI=1S/C15H32N2O/c1-5-13(6-2)15(17(3)4)12-16-14-8-7-10-18-11-9-14/h13-16H,5-12H2,1-4H3
InChIKeyVAEHHEBVDCVYSW-UHFFFAOYSA-N
MW256.43 g/mol
LogP2.51
Rot. Bonds7

About 3-ethyl-2-N,2-N-dimethyl-1-N-(oxepan-4-yl)pentane-1,2-diamine

3-ethyl-2-N,2-N-dimethyl-1-N-(oxepan-4-yl)pentane-1,2-diamine (PubChem CID 65076947) has the molecular formula C15H32N2O and a molecular weight of 256.43 g/mol. Its IUPAC name is 3-ethyl-2-N,2-N-dimethyl-1-N-(oxepan-4-yl)pentane-1,2-diamine.

Molecular Properties

Compound Name3-ethyl-2-N,2-N-dimethyl-1-N-(oxepan-4-yl)pentane-1,2-diamine
PubChem CID65076947
Molecular FormulaC15H32N2O
Molecular Weight256.43 g/mol
Exact Mass256.25
IUPAC Name3-ethyl-2-N,2-N-dimethyl-1-N-(oxepan-4-yl)pentane-1,2-diamine
SMILESCCC(CC)C(CNC1CCCOCC1)N(C)C
InChIInChI=1S/C15H32N2O/c1-5-13(6-2)15(17(3)4)12-16-14-8-7-10-18-11-9-14/h13-16H,5-12H2,1-4H3
InChIKeyVAEHHEBVDCVYSW-UHFFFAOYSA-N
XLogP2.51
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.43
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-ethyl-2-N,2-N-dimethyl-1-N-(oxepan-4-yl)pentane-1,2-diamine with MolForge

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Related Compounds

3-ethyl-1-N-(3-methoxycyclohexyl)-2-N,2-N-dimethylpentane-1,2-diamine
CID 106871598
3-ethyl-2-N,2-N-dimethyl-1-N-[3-(trifluoromethyl)cyclohexyl]pentane-1,2-diamine
CID 64759598
1-N-(3,5-dimethylcyclohexyl)-3-ethyl-2-N,2-N-dimethylpentane-1,2-diamine
CID 64724628
N-(2-methylbutyl)oxan-4-amine
CID 43609665
3-ethyl-2-N,2-N-dimethyl-1-N-(oxolan-3-ylmethyl)pentane-1,2-diamine
CID 43208014
1-N-cyclohexyl-2-N,2-N,3-trimethylbutane-1,2-diamine
CID 43205547
2-N,2-N-dimethyl-1-N-(oxolan-3-yl)butane-1,2-diamine
CID 115688949
N-(2-ethoxypropyl)oxan-4-amine
CID 115655582
N-[2-(4-methylcyclohexyl)ethyl]oxepan-4-amine
CID 65079654
N-(2-methylpropyl)oxan-4-amine;molecular hydrogen
CID 156813143
1-N-cyclopentyl-2-N,2-N-dimethylpropane-1,2-diamine
CID 61044044
N-(2,2,3-trimethylbutyl)oxepan-4-amine
CID 102613607

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-2-N,2-N-dimethyl-1-N-(oxepan-4-yl)pentane-1,2-diamine?
The IUPAC name of 3-ethyl-2-N,2-N-dimethyl-1-N-(oxepan-4-yl)pentane-1,2-diamine (CID 65076947) is 3-ethyl-2-N,2-N-dimethyl-1-N-(oxepan-4-yl)pentane-1,2-diamine.
What is the SMILES notation for 3-ethyl-2-N,2-N-dimethyl-1-N-(oxepan-4-yl)pentane-1,2-diamine?
The canonical SMILES for 3-ethyl-2-N,2-N-dimethyl-1-N-(oxepan-4-yl)pentane-1,2-diamine is CCC(CC)C(CNC1CCCOCC1)N(C)C.
What is the InChIKey of 3-ethyl-2-N,2-N-dimethyl-1-N-(oxepan-4-yl)pentane-1,2-diamine?
The InChIKey is VAEHHEBVDCVYSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32N2O/c1-5-13(6-2)15(17(3)4)12-16-14-8-7-10-18-11-9-14/h13-16H,5-12H2,1-4H3.
What are the key properties of 3-ethyl-2-N,2-N-dimethyl-1-N-(oxepan-4-yl)pentane-1,2-diamine?
3-ethyl-2-N,2-N-dimethyl-1-N-(oxepan-4-yl)pentane-1,2-diamine has a molecular weight of 256.43 g/mol, XLogP of 2.51, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-2-N,2-N-dimethyl-1-N-(oxepan-4-yl)pentane-1,2-diamine is sourced from PubChem (CID 65076947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).