2-(3-aminopropyl)hexanediamide

C9H19N3O2 — CID 174684338

IUPAC2-(3-aminopropyl)hexanediamide
SMILESNCCCC(CCCC(N)=O)C(N)=O
InChIInChI=1S/C9H19N3O2/c10-6-2-4-7(9(12)14)3-1-5-8(11)13/h7H,1-6,10H2,(H2,11,13)(H2,12,14)
InChIKeyACJPKYLMOZPDCN-UHFFFAOYSA-N
MW201.27 g/mol
LogP-0.52
Rot. Bonds8

About 2-(3-aminopropyl)hexanediamide

2-(3-aminopropyl)hexanediamide (PubChem CID 174684338) has the molecular formula C9H19N3O2 and a molecular weight of 201.27 g/mol. Its IUPAC name is 2-(3-aminopropyl)hexanediamide.

Molecular Properties

Compound Name2-(3-aminopropyl)hexanediamide
PubChem CID174684338
Molecular FormulaC9H19N3O2
Molecular Weight201.27 g/mol
Exact Mass201.15
IUPAC Name2-(3-aminopropyl)hexanediamide
SMILESNCCCC(CCCC(N)=O)C(N)=O
InChIInChI=1S/C9H19N3O2/c10-6-2-4-7(9(12)14)3-1-5-8(11)13/h7H,1-6,10H2,(H2,11,13)(H2,12,14)
InChIKeyACJPKYLMOZPDCN-UHFFFAOYSA-N
XLogP-0.52
TPSA112.20 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 5-0.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3-aminopropyl)hexanediamide?
The IUPAC name of 2-(3-aminopropyl)hexanediamide (CID 174684338) is 2-(3-aminopropyl)hexanediamide.
What is the SMILES notation for 2-(3-aminopropyl)hexanediamide?
The canonical SMILES for 2-(3-aminopropyl)hexanediamide is NCCCC(CCCC(N)=O)C(N)=O.
What is the InChIKey of 2-(3-aminopropyl)hexanediamide?
The InChIKey is ACJPKYLMOZPDCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N3O2/c10-6-2-4-7(9(12)14)3-1-5-8(11)13/h7H,1-6,10H2,(H2,11,13)(H2,12,14).
What are the key properties of 2-(3-aminopropyl)hexanediamide?
2-(3-aminopropyl)hexanediamide has a molecular weight of 201.27 g/mol, XLogP of -0.52, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-aminopropyl)hexanediamide is sourced from PubChem (CID 174684338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).