[4-(4-aminobutyl)-1,4-diazepan-1-yl]-(furan-2-yl)methanone

C14H23N3O2 — CID 43251904

IUPAC[4-(4-aminobutyl)-1,4-diazepan-1-yl]-(furan-2-yl)methanone
SMILESNCCCCN1CCCN(C(=O)c2ccco2)CC1
InChIInChI=1S/C14H23N3O2/c15-6-1-2-7-16-8-4-9-17(11-10-16)14(18)13-5-3-12-19-13/h3,5,12H,1-2,4,6-11,15H2
InChIKeyWRUVOZWSGLEZPW-UHFFFAOYSA-N
MW265.36 g/mol
LogP1.17
Rot. Bonds5

About [4-(4-aminobutyl)-1,4-diazepan-1-yl]-(furan-2-yl)methanone

[4-(4-aminobutyl)-1,4-diazepan-1-yl]-(furan-2-yl)methanone (PubChem CID 43251904) has the molecular formula C14H23N3O2 and a molecular weight of 265.36 g/mol. Its IUPAC name is [4-(4-aminobutyl)-1,4-diazepan-1-yl]-(furan-2-yl)methanone.

Molecular Properties

Compound Name[4-(4-aminobutyl)-1,4-diazepan-1-yl]-(furan-2-yl)methanone
PubChem CID43251904
Molecular FormulaC14H23N3O2
Molecular Weight265.36 g/mol
Exact Mass265.18
IUPAC Name[4-(4-aminobutyl)-1,4-diazepan-1-yl]-(furan-2-yl)methanone
SMILESNCCCCN1CCCN(C(=O)c2ccco2)CC1
InChIInChI=1S/C14H23N3O2/c15-6-1-2-7-16-8-4-9-17(11-10-16)14(18)13-5-3-12-19-13/h3,5,12H,1-2,4,6-11,15H2
InChIKeyWRUVOZWSGLEZPW-UHFFFAOYSA-N
XLogP1.17
TPSA62.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze [4-(4-aminobutyl)-1,4-diazepan-1-yl]-(furan-2-yl)methanone with MolForge

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Related Compounds

1-[4-(2-aminoethyl)piperazin-1-yl]-2-[4-(furan-2-carbonyl)piperazin-1-yl]ethane-1,2-dione
CID 108518065
2-[4-(furan-2-carbonyl)-1,4-diazepan-1-yl]acetic acid
CID 55119191
furan-2-yl-(4-prop-2-enyl-1,4-diazepan-1-yl)methanone
CID 95750017
3-(azepan-1-yl)-1-[4-(furan-2-carbonyl)piperazin-1-yl]propan-1-one
CID 109030070
furan-2-yl-[4-[(3S)-3-phenylbutyl]-1,4-diazepan-1-yl]methanone
CID 95124402
4-[4-(furan-2-carbonyl)piperazin-1-yl]butan-2-one
CID 82131455
azepan-1-yl(furan-2-yl)methanone
CID 5200992
[4-(4-aminobutyl)-1,4-diazepan-1-yl]-pyridin-4-ylmethanone
CID 43251908
furan-2-yl-[4-(2-methoxyethyl)piperazin-1-yl]methanone
CID 113073228
2-[4-(furan-2-carbonyl)piperazin-1-yl]-1-piperidin-1-ylethanone
CID 1452094
1-(azepan-1-yl)-2-[4-(furan-2-carbonyl)piperazin-1-yl]ethanone
CID 78789970
N-[2-[4-(furan-2-carbonyl)piperazin-1-yl]ethyl]furan-2-carboxamide
CID 4051467

Frequently Asked Questions

What is the IUPAC name of [4-(4-aminobutyl)-1,4-diazepan-1-yl]-(furan-2-yl)methanone?
The IUPAC name of [4-(4-aminobutyl)-1,4-diazepan-1-yl]-(furan-2-yl)methanone (CID 43251904) is [4-(4-aminobutyl)-1,4-diazepan-1-yl]-(furan-2-yl)methanone.
What is the SMILES notation for [4-(4-aminobutyl)-1,4-diazepan-1-yl]-(furan-2-yl)methanone?
The canonical SMILES for [4-(4-aminobutyl)-1,4-diazepan-1-yl]-(furan-2-yl)methanone is NCCCCN1CCCN(C(=O)c2ccco2)CC1.
What is the InChIKey of [4-(4-aminobutyl)-1,4-diazepan-1-yl]-(furan-2-yl)methanone?
The InChIKey is WRUVOZWSGLEZPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O2/c15-6-1-2-7-16-8-4-9-17(11-10-16)14(18)13-5-3-12-19-13/h3,5,12H,1-2,4,6-11,15H2.
What are the key properties of [4-(4-aminobutyl)-1,4-diazepan-1-yl]-(furan-2-yl)methanone?
[4-(4-aminobutyl)-1,4-diazepan-1-yl]-(furan-2-yl)methanone has a molecular weight of 265.36 g/mol, XLogP of 1.17, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-aminobutyl)-1,4-diazepan-1-yl]-(furan-2-yl)methanone is sourced from PubChem (CID 43251904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).