N-(3-ethoxypropyl)-2-(4-methylazepan-1-yl)propan-1-amine

C15H32N2O — CID 63626491

IUPACN-(3-ethoxypropyl)-2-(4-methylazepan-1-yl)propan-1-amine
SMILESCCOCCCNCC(C)N1CCCC(C)CC1
InChIInChI=1S/C15H32N2O/c1-4-18-12-6-9-16-13-15(3)17-10-5-7-14(2)8-11-17/h14-16H,4-13H2,1-3H3
InChIKeyRCKHATSGBPTUSL-UHFFFAOYSA-N
MW256.43 g/mol
LogP2.51
Rot. Bonds8

About N-(3-ethoxypropyl)-2-(4-methylazepan-1-yl)propan-1-amine

N-(3-ethoxypropyl)-2-(4-methylazepan-1-yl)propan-1-amine (PubChem CID 63626491) has the molecular formula C15H32N2O and a molecular weight of 256.43 g/mol. Its IUPAC name is N-(3-ethoxypropyl)-2-(4-methylazepan-1-yl)propan-1-amine.

Molecular Properties

Compound NameN-(3-ethoxypropyl)-2-(4-methylazepan-1-yl)propan-1-amine
PubChem CID63626491
Molecular FormulaC15H32N2O
Molecular Weight256.43 g/mol
Exact Mass256.25
IUPAC NameN-(3-ethoxypropyl)-2-(4-methylazepan-1-yl)propan-1-amine
SMILESCCOCCCNCC(C)N1CCCC(C)CC1
InChIInChI=1S/C15H32N2O/c1-4-18-12-6-9-16-13-15(3)17-10-5-7-14(2)8-11-17/h14-16H,4-13H2,1-3H3
InChIKeyRCKHATSGBPTUSL-UHFFFAOYSA-N
XLogP2.51
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
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

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(3-ethoxypropyl)-2-(4-methylazepan-1-yl)propan-1-amine?
The IUPAC name of N-(3-ethoxypropyl)-2-(4-methylazepan-1-yl)propan-1-amine (CID 63626491) is N-(3-ethoxypropyl)-2-(4-methylazepan-1-yl)propan-1-amine.
What is the SMILES notation for N-(3-ethoxypropyl)-2-(4-methylazepan-1-yl)propan-1-amine?
The canonical SMILES for N-(3-ethoxypropyl)-2-(4-methylazepan-1-yl)propan-1-amine is CCOCCCNCC(C)N1CCCC(C)CC1.
What is the InChIKey of N-(3-ethoxypropyl)-2-(4-methylazepan-1-yl)propan-1-amine?
The InChIKey is RCKHATSGBPTUSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32N2O/c1-4-18-12-6-9-16-13-15(3)17-10-5-7-14(2)8-11-17/h14-16H,4-13H2,1-3H3.
What are the key properties of N-(3-ethoxypropyl)-2-(4-methylazepan-1-yl)propan-1-amine?
N-(3-ethoxypropyl)-2-(4-methylazepan-1-yl)propan-1-amine has a molecular weight of 256.43 g/mol, XLogP of 2.51, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethoxypropyl)-2-(4-methylazepan-1-yl)propan-1-amine is sourced from PubChem (CID 63626491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).