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

C13H26N4O — CID 43252701

IUPAC2-[4-(2-aminoethyl)-1,4-diazepan-1-yl]-N-cyclopropylpropanamide
SMILESCC(C(=O)NC1CC1)N1CCCN(CCN)CC1
InChIInChI=1S/C13H26N4O/c1-11(13(18)15-12-3-4-12)17-7-2-6-16(8-5-14)9-10-17/h11-12H,2-10,14H2,1H3,(H,15,18)
InChIKeyMDGCXKKINQHZQE-UHFFFAOYSA-N
MW254.38 g/mol
LogP-0.38
Rot. Bonds5

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

2-[4-(2-aminoethyl)-1,4-diazepan-1-yl]-N-cyclopropylpropanamide (PubChem CID 43252701) has the molecular formula C13H26N4O and a molecular weight of 254.38 g/mol. Its IUPAC name is 2-[4-(2-aminoethyl)-1,4-diazepan-1-yl]-N-cyclopropylpropanamide.

Molecular Properties

Compound Name2-[4-(2-aminoethyl)-1,4-diazepan-1-yl]-N-cyclopropylpropanamide
PubChem CID43252701
Molecular FormulaC13H26N4O
Molecular Weight254.38 g/mol
Exact Mass254.21
IUPAC Name2-[4-(2-aminoethyl)-1,4-diazepan-1-yl]-N-cyclopropylpropanamide
SMILESCC(C(=O)NC1CC1)N1CCCN(CCN)CC1
InChIInChI=1S/C13H26N4O/c1-11(13(18)15-12-3-4-12)17-7-2-6-16(8-5-14)9-10-17/h11-12H,2-10,14H2,1H3,(H,15,18)
InChIKeyMDGCXKKINQHZQE-UHFFFAOYSA-N
XLogP-0.38
TPSA61.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.38
LogP ≤ 5-0.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclopropyl-2-[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]propanamide
CID 63310068
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-butylpropanamide
CID 43252705
2-[4-(2-aminoethyl)-1,4-diazepan-1-yl]-N-(ethylcarbamoyl)propanamide
CID 43252708
2-[4-(2-aminoethyl)-1,4-diazepan-1-yl]-N-(2-methoxyethyl)propanamide
CID 43252719
(2S)-N-cyclopropyl-2-[4-(3-oxo-3-piperidin-1-ylpropyl)piperazin-1-yl]propanamide
CID 94103625
2-[4-(2-aminoethyl)piperazin-1-yl]-N-carbamoylpropanamide
CID 43252611
2-[4-(3-aminopropanoyl)piperazin-1-yl]-N-cyclopropylpropanamide
CID 119839097
2,4-bis[4-(2-aminoethyl)piperazin-1-yl]pentan-3-one
CID 151041941
2-[4-(3-aminopropanoyl)piperazin-1-yl]-N-cyclopropylpropanamide;dihydrochloride
CID 119839096
2-[4-(2-aminoethyl)-1,4-diazepan-1-yl]-1-morpholin-4-ylpropan-1-one
CID 43252712
2-[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]-N-propan-2-ylpropanamide
CID 63310025

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-aminoethyl)-1,4-diazepan-1-yl]-N-cyclopropylpropanamide?
The IUPAC name of 2-[4-(2-aminoethyl)-1,4-diazepan-1-yl]-N-cyclopropylpropanamide (CID 43252701) is 2-[4-(2-aminoethyl)-1,4-diazepan-1-yl]-N-cyclopropylpropanamide.
What is the SMILES notation for 2-[4-(2-aminoethyl)-1,4-diazepan-1-yl]-N-cyclopropylpropanamide?
The canonical SMILES for 2-[4-(2-aminoethyl)-1,4-diazepan-1-yl]-N-cyclopropylpropanamide is CC(C(=O)NC1CC1)N1CCCN(CCN)CC1.
What is the InChIKey of 2-[4-(2-aminoethyl)-1,4-diazepan-1-yl]-N-cyclopropylpropanamide?
The InChIKey is MDGCXKKINQHZQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N4O/c1-11(13(18)15-12-3-4-12)17-7-2-6-16(8-5-14)9-10-17/h11-12H,2-10,14H2,1H3,(H,15,18).
What are the key properties of 2-[4-(2-aminoethyl)-1,4-diazepan-1-yl]-N-cyclopropylpropanamide?
2-[4-(2-aminoethyl)-1,4-diazepan-1-yl]-N-cyclopropylpropanamide has a molecular weight of 254.38 g/mol, XLogP of -0.38, 5 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-cyclopropylpropanamide is sourced from PubChem (CID 43252701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).