N-(1-ethoxypropan-2-yl)-1-methylazepan-4-amine

C12H26N2O — CID 65070598

IUPACN-(1-ethoxypropan-2-yl)-1-methylazepan-4-amine
SMILESCCOCC(C)NC1CCCN(C)CC1
InChIInChI=1S/C12H26N2O/c1-4-15-10-11(2)13-12-6-5-8-14(3)9-7-12/h11-13H,4-10H2,1-3H3
InChIKeyABMRBVXTVZLTQF-UHFFFAOYSA-N
MW214.35 g/mol
LogP1.49
Rot. Bonds5

About N-(1-ethoxypropan-2-yl)-1-methylazepan-4-amine

N-(1-ethoxypropan-2-yl)-1-methylazepan-4-amine (PubChem CID 65070598) has the molecular formula C12H26N2O and a molecular weight of 214.35 g/mol. Its IUPAC name is N-(1-ethoxypropan-2-yl)-1-methylazepan-4-amine.

Molecular Properties

Compound NameN-(1-ethoxypropan-2-yl)-1-methylazepan-4-amine
PubChem CID65070598
Molecular FormulaC12H26N2O
Molecular Weight214.35 g/mol
Exact Mass214.20
IUPAC NameN-(1-ethoxypropan-2-yl)-1-methylazepan-4-amine
SMILESCCOCC(C)NC1CCCN(C)CC1
InChIInChI=1S/C12H26N2O/c1-4-15-10-11(2)13-12-6-5-8-14(3)9-7-12/h11-13H,4-10H2,1-3H3
InChIKeyABMRBVXTVZLTQF-UHFFFAOYSA-N
XLogP1.49
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.35
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(1-ethoxypropan-2-yl)-1-methylazepan-4-amine?
The IUPAC name of N-(1-ethoxypropan-2-yl)-1-methylazepan-4-amine (CID 65070598) is N-(1-ethoxypropan-2-yl)-1-methylazepan-4-amine.
What is the SMILES notation for N-(1-ethoxypropan-2-yl)-1-methylazepan-4-amine?
The canonical SMILES for N-(1-ethoxypropan-2-yl)-1-methylazepan-4-amine is CCOCC(C)NC1CCCN(C)CC1.
What is the InChIKey of N-(1-ethoxypropan-2-yl)-1-methylazepan-4-amine?
The InChIKey is ABMRBVXTVZLTQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O/c1-4-15-10-11(2)13-12-6-5-8-14(3)9-7-12/h11-13H,4-10H2,1-3H3.
What are the key properties of N-(1-ethoxypropan-2-yl)-1-methylazepan-4-amine?
N-(1-ethoxypropan-2-yl)-1-methylazepan-4-amine has a molecular weight of 214.35 g/mol, XLogP of 1.49, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-ethoxypropan-2-yl)-1-methylazepan-4-amine is sourced from PubChem (CID 65070598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).