[4-(3-aminopropyl)-1,4-diazepan-1-yl]-(oxolan-2-yl)methanone

C13H25N3O2 — CID 43251431

IUPAC[4-(3-aminopropyl)-1,4-diazepan-1-yl]-(oxolan-2-yl)methanone
SMILESNCCCN1CCCN(C(=O)C2CCCO2)CC1
InChIInChI=1S/C13H25N3O2/c14-5-2-6-15-7-3-8-16(10-9-15)13(17)12-4-1-11-18-12/h12H,1-11,14H2
InChIKeyULOOMJDPCPSHRO-UHFFFAOYSA-N
MW255.36 g/mol
LogP0.05
Rot. Bonds4

About [4-(3-aminopropyl)-1,4-diazepan-1-yl]-(oxolan-2-yl)methanone

[4-(3-aminopropyl)-1,4-diazepan-1-yl]-(oxolan-2-yl)methanone (PubChem CID 43251431) has the molecular formula C13H25N3O2 and a molecular weight of 255.36 g/mol. Its IUPAC name is [4-(3-aminopropyl)-1,4-diazepan-1-yl]-(oxolan-2-yl)methanone.

Molecular Properties

Compound Name[4-(3-aminopropyl)-1,4-diazepan-1-yl]-(oxolan-2-yl)methanone
PubChem CID43251431
Molecular FormulaC13H25N3O2
Molecular Weight255.36 g/mol
Exact Mass255.19
IUPAC Name[4-(3-aminopropyl)-1,4-diazepan-1-yl]-(oxolan-2-yl)methanone
SMILESNCCCN1CCCN(C(=O)C2CCCO2)CC1
InChIInChI=1S/C13H25N3O2/c14-5-2-6-15-7-3-8-16(10-9-15)13(17)12-4-1-11-18-12/h12H,1-11,14H2
InChIKeyULOOMJDPCPSHRO-UHFFFAOYSA-N
XLogP0.05
TPSA58.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 50.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [4-(3-aminopropyl)-1,4-diazepan-1-yl]-(oxolan-2-yl)methanone 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

[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]-(oxolan-2-yl)methanone
CID 63308795
[4-(2-morpholin-4-ylethyl)piperazin-1-yl]-(oxolan-2-yl)methanone
CID 113073657
[4-(5-aminopentyl)-1,4-diazepan-1-yl]-(oxan-4-yl)methanone
CID 62907208
[4-(5-aminopentyl)-1,4-diazepan-1-yl]-cyclopropylmethanone
CID 43252118
2-[4-(oxolane-2-carbonyl)piperazin-1-yl]ethanethioamide
CID 63336105
[4-(3-amino-2-methylpropyl)piperazin-1-yl]-(oxolan-2-yl)methanone
CID 43251966
2-[4-[(2R)-oxolane-2-carbonyl]piperazin-1-yl]acetonitrile
CID 27280952
[4-(3-aminopropyl)-1,4-diazepan-1-yl]-(azepan-1-yl)methanone
CID 79152798
[4-[3-(4-fluorophenoxy)propyl]piperazin-1-yl]-[(2R)-oxolan-2-yl]methanone
CID 51924438
[4-[(4-fluorophenyl)methyl]-1,4-diazepan-1-yl]-(oxolan-2-yl)methanone
CID 134046835
3-[4-[2-(oxolan-2-yl)ethyl]-1,4-diazepan-1-yl]propan-1-amine
CID 65158558
1-[4-(oxolane-2-carbonyl)-1,4-diazepan-1-yl]butan-1-one
CID 110796627

Frequently Asked Questions

What is the IUPAC name of [4-(3-aminopropyl)-1,4-diazepan-1-yl]-(oxolan-2-yl)methanone?
The IUPAC name of [4-(3-aminopropyl)-1,4-diazepan-1-yl]-(oxolan-2-yl)methanone (CID 43251431) is [4-(3-aminopropyl)-1,4-diazepan-1-yl]-(oxolan-2-yl)methanone.
What is the SMILES notation for [4-(3-aminopropyl)-1,4-diazepan-1-yl]-(oxolan-2-yl)methanone?
The canonical SMILES for [4-(3-aminopropyl)-1,4-diazepan-1-yl]-(oxolan-2-yl)methanone is NCCCN1CCCN(C(=O)C2CCCO2)CC1.
What is the InChIKey of [4-(3-aminopropyl)-1,4-diazepan-1-yl]-(oxolan-2-yl)methanone?
The InChIKey is ULOOMJDPCPSHRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O2/c14-5-2-6-15-7-3-8-16(10-9-15)13(17)12-4-1-11-18-12/h12H,1-11,14H2.
What are the key properties of [4-(3-aminopropyl)-1,4-diazepan-1-yl]-(oxolan-2-yl)methanone?
[4-(3-aminopropyl)-1,4-diazepan-1-yl]-(oxolan-2-yl)methanone has a molecular weight of 255.36 g/mol, XLogP of 0.05, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3-aminopropyl)-1,4-diazepan-1-yl]-(oxolan-2-yl)methanone is sourced from PubChem (CID 43251431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).