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

C14H30N4O — CID 43252717

IUPAC2-[4-(2-aminoethyl)-1,4-diazepan-1-yl]-N-(2-methylpropyl)propanamide
SMILESCC(C)CNC(=O)C(C)N1CCCN(CCN)CC1
InChIInChI=1S/C14H30N4O/c1-12(2)11-16-14(19)13(3)18-7-4-6-17(8-5-15)9-10-18/h12-13H,4-11,15H2,1-3H3,(H,16,19)
InChIKeyLUYKTOBIHISFDH-UHFFFAOYSA-N
MW270.42 g/mol
LogP0.11
Rot. Bonds6

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

2-[4-(2-aminoethyl)-1,4-diazepan-1-yl]-N-(2-methylpropyl)propanamide (PubChem CID 43252717) 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-(2-methylpropyl)propanamide.

Molecular Properties

Compound Name2-[4-(2-aminoethyl)-1,4-diazepan-1-yl]-N-(2-methylpropyl)propanamide
PubChem CID43252717
Molecular FormulaC14H30N4O
Molecular Weight270.42 g/mol
Exact Mass270.24
IUPAC Name2-[4-(2-aminoethyl)-1,4-diazepan-1-yl]-N-(2-methylpropyl)propanamide
SMILESCC(C)CNC(=O)C(C)N1CCCN(CCN)CC1
InChIInChI=1S/C14H30N4O/c1-12(2)11-16-14(19)13(3)18-7-4-6-17(8-5-15)9-10-18/h12-13H,4-11,15H2,1-3H3,(H,16,19)
InChIKeyLUYKTOBIHISFDH-UHFFFAOYSA-N
XLogP0.11
TPSA61.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.42
LogP ≤ 50.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-(2-aminoethyl)-1,4-diazepan-1-yl]-N-butylpropanamide
CID 43252705
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-cyclopropylpropanamide
CID 43252701
2-[4-(2-aminoethyl)-1,4-diazepan-1-yl]-N-(ethylcarbamoyl)propanamide
CID 43252708
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-(2-aminoethyl)-1,4-diazepan-1-yl]-1-morpholin-4-ylpropan-1-one
CID 43252712
2,4-bis[4-(2-aminoethyl)piperazin-1-yl]pentan-3-one
CID 151041941
2-[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]-N-methylpropanamide
CID 63310069
2-[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]-N-propan-2-ylpropanamide
CID 63310025
2-[4-(3-aminopropyl)-1,4-diazepan-1-yl]-N-(2-methylpropyl)acetamide
CID 43251542
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-(2-methylpropyl)propanamide?
The IUPAC name of 2-[4-(2-aminoethyl)-1,4-diazepan-1-yl]-N-(2-methylpropyl)propanamide (CID 43252717) is 2-[4-(2-aminoethyl)-1,4-diazepan-1-yl]-N-(2-methylpropyl)propanamide.
What is the SMILES notation for 2-[4-(2-aminoethyl)-1,4-diazepan-1-yl]-N-(2-methylpropyl)propanamide?
The canonical SMILES for 2-[4-(2-aminoethyl)-1,4-diazepan-1-yl]-N-(2-methylpropyl)propanamide is CC(C)CNC(=O)C(C)N1CCCN(CCN)CC1.
What is the InChIKey of 2-[4-(2-aminoethyl)-1,4-diazepan-1-yl]-N-(2-methylpropyl)propanamide?
The InChIKey is LUYKTOBIHISFDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N4O/c1-12(2)11-16-14(19)13(3)18-7-4-6-17(8-5-15)9-10-18/h12-13H,4-11,15H2,1-3H3,(H,16,19).
What are the key properties of 2-[4-(2-aminoethyl)-1,4-diazepan-1-yl]-N-(2-methylpropyl)propanamide?
2-[4-(2-aminoethyl)-1,4-diazepan-1-yl]-N-(2-methylpropyl)propanamide has a molecular weight of 270.42 g/mol, XLogP of 0.11, 6 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-(2-methylpropyl)propanamide is sourced from PubChem (CID 43252717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).