N'-(3-aminopropyl)-N-propylbutanediamide

C10H21N3O2 — CID 119407981

IUPACN'-(3-aminopropyl)-N-propylbutanediamide
SMILESCCCNC(=O)CCC(=O)NCCCN
InChIInChI=1S/C10H21N3O2/c1-2-7-12-9(14)4-5-10(15)13-8-3-6-11/h2-8,11H2,1H3,(H,12,14)(H,13,15)
InChIKeyZVMRWSMNNLLJRE-UHFFFAOYSA-N
MW215.30 g/mol
LogP-0.24
Rot. Bonds8

About N'-(3-aminopropyl)-N-propylbutanediamide

N'-(3-aminopropyl)-N-propylbutanediamide (PubChem CID 119407981) has the molecular formula C10H21N3O2 and a molecular weight of 215.30 g/mol. Its IUPAC name is N'-(3-aminopropyl)-N-propylbutanediamide.

Molecular Properties

Compound NameN'-(3-aminopropyl)-N-propylbutanediamide
PubChem CID119407981
Molecular FormulaC10H21N3O2
Molecular Weight215.30 g/mol
Exact Mass215.16
IUPAC NameN'-(3-aminopropyl)-N-propylbutanediamide
SMILESCCCNC(=O)CCC(=O)NCCCN
InChIInChI=1S/C10H21N3O2/c1-2-7-12-9(14)4-5-10(15)13-8-3-6-11/h2-8,11H2,1H3,(H,12,14)(H,13,15)
InChIKeyZVMRWSMNNLLJRE-UHFFFAOYSA-N
XLogP-0.24
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.30
LogP ≤ 5-0.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(3-aminopropyl)propanamide
CID 21290277
6-amino-N-butylhexanamide
CID 14914743
7-amino-N-butylheptanamide
CID 24689519
N-(3-aminopropyl)-5-oxoheptanamide
CID 91122270
N-(4-aminobutyl)tetracosanamide
CID 171117181
N-(6-aminohexyl)dodecanamide
CID 13030555
N-(9-aminononyl)nonanamide
CID 154091260
N,N'-dipropyldecanediamide
CID 102239298
5-amino-N-dodecylpentanamide;hydrochloride
CID 135363918
6-amino-N-pentylhexanamide;hydrochloride
CID 51041459
3-amino-N-butylpropanamide;butane;ethane;pentane
CID 143654511
N'-(6-aminohexyl)-N-methylbutanediamide
CID 155220266

Frequently Asked Questions

What is the IUPAC name of N'-(3-aminopropyl)-N-propylbutanediamide?
The IUPAC name of N'-(3-aminopropyl)-N-propylbutanediamide (CID 119407981) is N'-(3-aminopropyl)-N-propylbutanediamide.
What is the SMILES notation for N'-(3-aminopropyl)-N-propylbutanediamide?
The canonical SMILES for N'-(3-aminopropyl)-N-propylbutanediamide is CCCNC(=O)CCC(=O)NCCCN.
What is the InChIKey of N'-(3-aminopropyl)-N-propylbutanediamide?
The InChIKey is ZVMRWSMNNLLJRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N3O2/c1-2-7-12-9(14)4-5-10(15)13-8-3-6-11/h2-8,11H2,1H3,(H,12,14)(H,13,15).
What are the key properties of N'-(3-aminopropyl)-N-propylbutanediamide?
N'-(3-aminopropyl)-N-propylbutanediamide has a molecular weight of 215.30 g/mol, XLogP of -0.24, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3-aminopropyl)-N-propylbutanediamide is sourced from PubChem (CID 119407981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).