2-[4-(2-aminoethyl)-1,4-diazepan-1-yl]-N-butylpropanamide

C14H30N4O — CID 43252705

IUPAC2-[4-(2-aminoethyl)-1,4-diazepan-1-yl]-N-butylpropanamide
SMILESCCCCNC(=O)C(C)N1CCCN(CCN)CC1
InChIInChI=1S/C14H30N4O/c1-3-4-7-16-14(19)13(2)18-9-5-8-17(10-6-15)11-12-18/h13H,3-12,15H2,1-2H3,(H,16,19)
InChIKeyYAKITIULYYKJQZ-UHFFFAOYSA-N
MW270.42 g/mol
LogP0.26
Rot. Bonds7

About 2-[4-(2-aminoethyl)-1,4-diazepan-1-yl]-N-butylpropanamide

2-[4-(2-aminoethyl)-1,4-diazepan-1-yl]-N-butylpropanamide (PubChem CID 43252705) has the molecular formula C14H30N4O and a molecular weight of 270.42 g/mol. Its IUPAC name is 2-[4-(2-aminoethyl)-1,4-diazepan-1-yl]-N-butylpropanamide.

Molecular Properties

Compound Name2-[4-(2-aminoethyl)-1,4-diazepan-1-yl]-N-butylpropanamide
PubChem CID43252705
Molecular FormulaC14H30N4O
Molecular Weight270.42 g/mol
Exact Mass270.24
IUPAC Name2-[4-(2-aminoethyl)-1,4-diazepan-1-yl]-N-butylpropanamide
SMILESCCCCNC(=O)C(C)N1CCCN(CCN)CC1
InChIInChI=1S/C14H30N4O/c1-3-4-7-16-14(19)13(2)18-9-5-8-17(10-6-15)11-12-18/h13H,3-12,15H2,1-2H3,(H,16,19)
InChIKeyYAKITIULYYKJQZ-UHFFFAOYSA-N
XLogP0.26
TPSA61.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
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'}

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Related Compounds

2-[4-(3-amino-2-methylpropyl)-1,4-diazepan-1-yl]-N-butylpropanamide
CID 43253031
2-[4-(2-aminoethyl)-1,4-diazepan-1-yl]-N-(2-methylpropyl)propanamide
CID 43252717
2-[4-(2-aminoethyl)-1,4-diazepan-1-yl]-N-(2-methoxyethyl)propanamide
CID 43252719
2-[4-(2-aminoethyl)-1,4-diazepan-1-yl]-N-(ethylcarbamoyl)propanamide
CID 43252708
3-[4-[1-(butylamino)-1-oxopropan-2-yl]piperazin-1-yl]propanoic acid
CID 43522452
2-[4-(2-aminoethyl)-1,4-diazepan-1-yl]-N-cyclopropylpropanamide
CID 43252701
2-[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]-N-(3-methylbutyl)propanamide
CID 63310111
2-[4-(2-aminoethyl)piperazin-1-yl]-N-carbamoylpropanamide
CID 43252611
2,4-bis[4-(2-aminoethyl)piperazin-1-yl]pentan-3-one
CID 151041941
2-[4-(3-aminopropyl)-1,4-diazepan-1-yl]-N-butylacetamide
CID 61485839
2-[4-(aminomethyl)-4-methylpiperidin-1-yl]-N-butylpropanamide
CID 107160660
N-(2-aminoethyl)-2-(azepan-1-yl)propanamide;dihydrochloride
CID 119382789

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-aminoethyl)-1,4-diazepan-1-yl]-N-butylpropanamide?
The IUPAC name of 2-[4-(2-aminoethyl)-1,4-diazepan-1-yl]-N-butylpropanamide (CID 43252705) is 2-[4-(2-aminoethyl)-1,4-diazepan-1-yl]-N-butylpropanamide.
What is the SMILES notation for 2-[4-(2-aminoethyl)-1,4-diazepan-1-yl]-N-butylpropanamide?
The canonical SMILES for 2-[4-(2-aminoethyl)-1,4-diazepan-1-yl]-N-butylpropanamide is CCCCNC(=O)C(C)N1CCCN(CCN)CC1.
What is the InChIKey of 2-[4-(2-aminoethyl)-1,4-diazepan-1-yl]-N-butylpropanamide?
The InChIKey is YAKITIULYYKJQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N4O/c1-3-4-7-16-14(19)13(2)18-9-5-8-17(10-6-15)11-12-18/h13H,3-12,15H2,1-2H3,(H,16,19).
What are the key properties of 2-[4-(2-aminoethyl)-1,4-diazepan-1-yl]-N-butylpropanamide?
2-[4-(2-aminoethyl)-1,4-diazepan-1-yl]-N-butylpropanamide has a molecular weight of 270.42 g/mol, XLogP of 0.26, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-aminoethyl)-1,4-diazepan-1-yl]-N-butylpropanamide is sourced from PubChem (CID 43252705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).