N-(2-methoxypropyl)-1-propylazepan-4-amine

C13H28N2O — CID 102696547

IUPACN-(2-methoxypropyl)-1-propylazepan-4-amine
SMILESCCCN1CCCC(NCC(C)OC)CC1
InChIInChI=1S/C13H28N2O/c1-4-8-15-9-5-6-13(7-10-15)14-11-12(2)16-3/h12-14H,4-11H2,1-3H3
InChIKeyZNOIGRJDAJLXQI-UHFFFAOYSA-N
MW228.38 g/mol
LogP1.88
Rot. Bonds6

About N-(2-methoxypropyl)-1-propylazepan-4-amine

N-(2-methoxypropyl)-1-propylazepan-4-amine (PubChem CID 102696547) has the molecular formula C13H28N2O and a molecular weight of 228.38 g/mol. Its IUPAC name is N-(2-methoxypropyl)-1-propylazepan-4-amine.

Molecular Properties

Compound NameN-(2-methoxypropyl)-1-propylazepan-4-amine
PubChem CID102696547
Molecular FormulaC13H28N2O
Molecular Weight228.38 g/mol
Exact Mass228.22
IUPAC NameN-(2-methoxypropyl)-1-propylazepan-4-amine
SMILESCCCN1CCCC(NCC(C)OC)CC1
InChIInChI=1S/C13H28N2O/c1-4-8-15-9-5-6-13(7-10-15)14-11-12(2)16-3/h12-14H,4-11H2,1-3H3
InChIKeyZNOIGRJDAJLXQI-UHFFFAOYSA-N
XLogP1.88
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.38
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-methoxypropyl)-1-methylazepan-4-amine
CID 102695962
2-N,2-N-dimethyl-1-N-(1-propylazepan-4-yl)propane-1,2-diamine
CID 65073378
2-methyl-3-[(1-propylazepan-4-yl)amino]propan-1-ol
CID 65078153
3-methyl-4-[(1-propylazepan-4-yl)amino]butan-1-ol
CID 66089662
N'-methyl-N'-propan-2-yl-N-(1-propylazepan-4-yl)ethane-1,2-diamine
CID 65078082
N-methyl-1-propylazepan-4-amine
CID 65072873
N-(4-methoxybutan-2-yl)-1-propylazepan-4-amine
CID 65078398
4-methyl-1-[(1-propylpiperidin-4-yl)amino]pentan-2-ol
CID 103779663
N-(2-methylsulfinylpropyl)-1-propylpiperidin-4-amine
CID 115901563
N'-(2-methoxyethyl)-N'-methyl-N-(1-propylazepan-4-yl)ethane-1,2-diamine
CID 65078580
N-(2,2-diethoxyethyl)-1-ethylazepan-4-amine
CID 79547698
1-[[(1-propylazepan-4-yl)amino]methyl]cyclohexan-1-ol
CID 65107383

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxypropyl)-1-propylazepan-4-amine?
The IUPAC name of N-(2-methoxypropyl)-1-propylazepan-4-amine (CID 102696547) is N-(2-methoxypropyl)-1-propylazepan-4-amine.
What is the SMILES notation for N-(2-methoxypropyl)-1-propylazepan-4-amine?
The canonical SMILES for N-(2-methoxypropyl)-1-propylazepan-4-amine is CCCN1CCCC(NCC(C)OC)CC1.
What is the InChIKey of N-(2-methoxypropyl)-1-propylazepan-4-amine?
The InChIKey is ZNOIGRJDAJLXQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2O/c1-4-8-15-9-5-6-13(7-10-15)14-11-12(2)16-3/h12-14H,4-11H2,1-3H3.
What are the key properties of N-(2-methoxypropyl)-1-propylazepan-4-amine?
N-(2-methoxypropyl)-1-propylazepan-4-amine has a molecular weight of 228.38 g/mol, XLogP of 1.88, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxypropyl)-1-propylazepan-4-amine is sourced from PubChem (CID 102696547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).