3-[bis(3-aminopropyl)amino]propanamide

C9H22N4O — CID 88922422

IUPAC3-[bis(3-aminopropyl)amino]propanamide
SMILESNCCCN(CCCN)CCC(N)=O
InChIInChI=1S/C9H22N4O/c10-4-1-6-13(7-2-5-11)8-3-9(12)14/h1-8,10-11H2,(H2,12,14)
InChIKeyXIJNJLQKIHPEPD-UHFFFAOYSA-N
MW202.30 g/mol
LogP-1.14
Rot. Bonds9

About 3-[bis(3-aminopropyl)amino]propanamide

3-[bis(3-aminopropyl)amino]propanamide (PubChem CID 88922422) has the molecular formula C9H22N4O and a molecular weight of 202.30 g/mol. Its IUPAC name is 3-[bis(3-aminopropyl)amino]propanamide.

Molecular Properties

Compound Name3-[bis(3-aminopropyl)amino]propanamide
PubChem CID88922422
Molecular FormulaC9H22N4O
Molecular Weight202.30 g/mol
Exact Mass202.18
IUPAC Name3-[bis(3-aminopropyl)amino]propanamide
SMILESNCCCN(CCCN)CCC(N)=O
InChIInChI=1S/C9H22N4O/c10-4-1-6-13(7-2-5-11)8-3-9(12)14/h1-8,10-11H2,(H2,12,14)
InChIKeyXIJNJLQKIHPEPD-UHFFFAOYSA-N
XLogP-1.14
TPSA98.37 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.30
LogP ≤ 5-1.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-[bis[3-(diethylamino)propyl]amino]propanamide
CID 87989478
3-[bis[3-(dimethylamino)propyl]amino]propanamide
CID 3097429
3-[(3-amino-3-oxopropyl)-(2-carboxyethyl)amino]propanoic acid
CID 21115401
5-aminopentanamide;ethane
CID 145257040
4-(dibutylamino)butanamide
CID 57071614
2-[(2-amino-2-oxoethyl)-(3-aminopropyl)amino]acetic acid
CID 107440465
16-aminohexadecanamide
CID 86033165
methane;N,N,N',N'-tetrakis(3-aminopropyl)butane-1,4-diamine
CID 158129365
N,N-bis(3-aminopropyl)-N'-[3-[bis(3-aminopropyl)amino]propyl]-N'-[3-[3-[bis[3-[bis(3-aminopropyl)amino]propyl]amino]propyl-[4-[bis[3-[bis[3-[bis(3-aminopropyl)amino]propyl]amino]propyl]amino]butyl]amino]propyl]butane-1,4-diamine
CID 118403322
N,N,N',N'-tetrakis(3-aminopropyl)decane-1,10-diamine
CID 87383613
2-[bis(3-aminopropyl)amino]ethanol
CID 19359070
N-(3-aminopropyl)-3-[[3-(3-aminopropylamino)-3-oxopropyl]-[3-[bis[3-(3-aminopropylamino)-3-oxopropyl]amino]propyl]amino]propanamide
CID 59391592

Frequently Asked Questions

What is the IUPAC name of 3-[bis(3-aminopropyl)amino]propanamide?
The IUPAC name of 3-[bis(3-aminopropyl)amino]propanamide (CID 88922422) is 3-[bis(3-aminopropyl)amino]propanamide.
What is the SMILES notation for 3-[bis(3-aminopropyl)amino]propanamide?
The canonical SMILES for 3-[bis(3-aminopropyl)amino]propanamide is NCCCN(CCCN)CCC(N)=O.
What is the InChIKey of 3-[bis(3-aminopropyl)amino]propanamide?
The InChIKey is XIJNJLQKIHPEPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H22N4O/c10-4-1-6-13(7-2-5-11)8-3-9(12)14/h1-8,10-11H2,(H2,12,14).
What are the key properties of 3-[bis(3-aminopropyl)amino]propanamide?
3-[bis(3-aminopropyl)amino]propanamide has a molecular weight of 202.30 g/mol, XLogP of -1.14, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[bis(3-aminopropyl)amino]propanamide is sourced from PubChem (CID 88922422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).