2-[4-(3-aminopropyl)-1,4-diazepan-1-yl]-N-butylacetamide

C14H30N4O — CID 61485839

IUPAC2-[4-(3-aminopropyl)-1,4-diazepan-1-yl]-N-butylacetamide
SMILESCCCCNC(=O)CN1CCCN(CCCN)CC1
InChIInChI=1S/C14H30N4O/c1-2-3-7-16-14(19)13-18-10-5-9-17(11-12-18)8-4-6-15/h2-13,15H2,1H3,(H,16,19)
InChIKeyNIZYJJCFIHZYHV-UHFFFAOYSA-N
MW270.42 g/mol
LogP0.26
Rot. Bonds8

About 2-[4-(3-aminopropyl)-1,4-diazepan-1-yl]-N-butylacetamide

2-[4-(3-aminopropyl)-1,4-diazepan-1-yl]-N-butylacetamide (PubChem CID 61485839) has the molecular formula C14H30N4O and a molecular weight of 270.42 g/mol. Its IUPAC name is 2-[4-(3-aminopropyl)-1,4-diazepan-1-yl]-N-butylacetamide.

Molecular Properties

Compound Name2-[4-(3-aminopropyl)-1,4-diazepan-1-yl]-N-butylacetamide
PubChem CID61485839
Molecular FormulaC14H30N4O
Molecular Weight270.42 g/mol
Exact Mass270.24
IUPAC Name2-[4-(3-aminopropyl)-1,4-diazepan-1-yl]-N-butylacetamide
SMILESCCCCNC(=O)CN1CCCN(CCCN)CC1
InChIInChI=1S/C14H30N4O/c1-2-3-7-16-14(19)13-18-10-5-9-17(11-12-18)8-4-6-15/h2-13,15H2,1H3,(H,16,19)
InChIKeyNIZYJJCFIHZYHV-UHFFFAOYSA-N
XLogP0.26
TPSA61.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.42
LogP ≤ 50.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-[4-(3-aminopropyl)-1,4-diazepan-1-yl]-N-butylacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-butyl-2-pyrrolidin-1-ylacetamide
CID 110687965
2-[4-(3-aminopropyl)-1,4-diazepan-1-yl]-N-(2-methylpropyl)acetamide
CID 43251542
N-(3-aminopropyl)-2-[4,7,10-tris[2-(3-aminopropylamino)-2-oxoethyl]-1,4,7,10-tetrazacyclododec-1-yl]acetamide
CID 101418883
2-[4-(3-aminopropyl)piperazin-1-yl]-N-(2-methoxyethyl)acetamide
CID 54956375
N-dodecyl-2-pyrrolidin-1-ylacetamide
CID 11971610
2-(azepan-1-yl)-N-pentylacetamide
CID 109006030
N-heptyl-2-[4-(3-hydroxypropyl)piperazin-1-yl]acetamide
CID 22272678
2-(4-acetylpiperazin-1-yl)-N-butylacetamide
CID 108993129
N-dodecyl-2-piperidin-1-ylacetamide
CID 3064220
2-[4-(3-aminopropyl)piperazin-1-yl]-N-(2-methylpropyl)acetamide
CID 43251325
N-heptyl-2-[4-(2-hydroxyethyl)piperazin-1-yl]acetamide
CID 22272726
4-(4-pentyl-1,4-diazepan-1-yl)butan-1-amine
CID 43252830

Frequently Asked Questions

What is the IUPAC name of 2-[4-(3-aminopropyl)-1,4-diazepan-1-yl]-N-butylacetamide?
The IUPAC name of 2-[4-(3-aminopropyl)-1,4-diazepan-1-yl]-N-butylacetamide (CID 61485839) is 2-[4-(3-aminopropyl)-1,4-diazepan-1-yl]-N-butylacetamide.
What is the SMILES notation for 2-[4-(3-aminopropyl)-1,4-diazepan-1-yl]-N-butylacetamide?
The canonical SMILES for 2-[4-(3-aminopropyl)-1,4-diazepan-1-yl]-N-butylacetamide is CCCCNC(=O)CN1CCCN(CCCN)CC1.
What is the InChIKey of 2-[4-(3-aminopropyl)-1,4-diazepan-1-yl]-N-butylacetamide?
The InChIKey is NIZYJJCFIHZYHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N4O/c1-2-3-7-16-14(19)13-18-10-5-9-17(11-12-18)8-4-6-15/h2-13,15H2,1H3,(H,16,19).
What are the key properties of 2-[4-(3-aminopropyl)-1,4-diazepan-1-yl]-N-butylacetamide?
2-[4-(3-aminopropyl)-1,4-diazepan-1-yl]-N-butylacetamide has a molecular weight of 270.42 g/mol, XLogP of 0.26, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3-aminopropyl)-1,4-diazepan-1-yl]-N-butylacetamide is sourced from PubChem (CID 61485839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).