N-(4-methoxybutan-2-yl)-1-propylazepan-4-amine

C14H30N2O — CID 65078398

IUPACN-(4-methoxybutan-2-yl)-1-propylazepan-4-amine
SMILESCCCN1CCCC(NC(C)CCOC)CC1
InChIInChI=1S/C14H30N2O/c1-4-9-16-10-5-6-14(7-11-16)15-13(2)8-12-17-3/h13-15H,4-12H2,1-3H3
InChIKeyNBQQLDCAXYCFHZ-UHFFFAOYSA-N
MW242.41 g/mol
LogP2.27
Rot. Bonds7

About N-(4-methoxybutan-2-yl)-1-propylazepan-4-amine

N-(4-methoxybutan-2-yl)-1-propylazepan-4-amine (PubChem CID 65078398) has the molecular formula C14H30N2O and a molecular weight of 242.41 g/mol. Its IUPAC name is N-(4-methoxybutan-2-yl)-1-propylazepan-4-amine.

Molecular Properties

Compound NameN-(4-methoxybutan-2-yl)-1-propylazepan-4-amine
PubChem CID65078398
Molecular FormulaC14H30N2O
Molecular Weight242.41 g/mol
Exact Mass242.24
IUPAC NameN-(4-methoxybutan-2-yl)-1-propylazepan-4-amine
SMILESCCCN1CCCC(NC(C)CCOC)CC1
InChIInChI=1S/C14H30N2O/c1-4-9-16-10-5-6-14(7-11-16)15-13(2)8-12-17-3/h13-15H,4-12H2,1-3H3
InChIKeyNBQQLDCAXYCFHZ-UHFFFAOYSA-N
XLogP2.27
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.41
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-propyl-N-(1-pyrrolidin-1-ylpropan-2-yl)piperidin-4-amine
CID 54953008
N-methyl-1-propylazepan-4-amine
CID 65072873
N-(2-methoxypropyl)-1-propylazepan-4-amine
CID 102696547
1-ethyl-N-octan-2-ylazepan-4-amine
CID 65073941
3-methyl-2-[(1-propylazepan-4-yl)amino]butanoic acid
CID 65073293
N-(4-methoxybutan-2-yl)-1-propan-2-ylpyrrolidin-3-amine
CID 64605853
N'-(2-methoxyethyl)-N'-methyl-N-(1-propylazepan-4-yl)ethane-1,2-diamine
CID 65078580
N-[1-(5-methylthiophen-2-yl)propan-2-yl]-1-propylazepan-4-amine
CID 65078736
N-propyl-2-[(1-propylazepan-4-yl)amino]propanamide
CID 65074258
N-(1-phenylethyl)-1-propylazepan-4-amine
CID 65072569
N-(3-methoxypropyl)-2-[(1-propylpiperidin-4-yl)amino]propanamide
CID 60722361
N-[(1S)-1-cycloheptylethyl]-1-propylpiperidin-4-amine
CID 81388196

Frequently Asked Questions

What is the IUPAC name of N-(4-methoxybutan-2-yl)-1-propylazepan-4-amine?
The IUPAC name of N-(4-methoxybutan-2-yl)-1-propylazepan-4-amine (CID 65078398) is N-(4-methoxybutan-2-yl)-1-propylazepan-4-amine.
What is the SMILES notation for N-(4-methoxybutan-2-yl)-1-propylazepan-4-amine?
The canonical SMILES for N-(4-methoxybutan-2-yl)-1-propylazepan-4-amine is CCCN1CCCC(NC(C)CCOC)CC1.
What is the InChIKey of N-(4-methoxybutan-2-yl)-1-propylazepan-4-amine?
The InChIKey is NBQQLDCAXYCFHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N2O/c1-4-9-16-10-5-6-14(7-11-16)15-13(2)8-12-17-3/h13-15H,4-12H2,1-3H3.
What are the key properties of N-(4-methoxybutan-2-yl)-1-propylazepan-4-amine?
N-(4-methoxybutan-2-yl)-1-propylazepan-4-amine has a molecular weight of 242.41 g/mol, XLogP of 2.27, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxybutan-2-yl)-1-propylazepan-4-amine is sourced from PubChem (CID 65078398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).