3-(3-aminopropylamino)-N-propan-2-ylpropanamide

C9H21N3O — CID 15227600

IUPAC3-(3-aminopropylamino)-N-propan-2-ylpropanamide
SMILESCC(C)NC(=O)CCNCCCN
InChIInChI=1S/C9H21N3O/c1-8(2)12-9(13)4-7-11-6-3-5-10/h8,11H,3-7,10H2,1-2H3,(H,12,13)
InChIKeyXYOADPGIUHYCGW-UHFFFAOYSA-N
MW187.29 g/mol
LogP-0.16
Rot. Bonds7

About 3-(3-aminopropylamino)-N-propan-2-ylpropanamide

3-(3-aminopropylamino)-N-propan-2-ylpropanamide (PubChem CID 15227600) has the molecular formula C9H21N3O and a molecular weight of 187.29 g/mol. Its IUPAC name is 3-(3-aminopropylamino)-N-propan-2-ylpropanamide.

Molecular Properties

Compound Name3-(3-aminopropylamino)-N-propan-2-ylpropanamide
PubChem CID15227600
Molecular FormulaC9H21N3O
Molecular Weight187.29 g/mol
Exact Mass187.17
IUPAC Name3-(3-aminopropylamino)-N-propan-2-ylpropanamide
SMILESCC(C)NC(=O)CCNCCCN
InChIInChI=1S/C9H21N3O/c1-8(2)12-9(13)4-7-11-6-3-5-10/h8,11H,3-7,10H2,1-2H3,(H,12,13)
InChIKeyXYOADPGIUHYCGW-UHFFFAOYSA-N
XLogP-0.16
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.29
LogP ≤ 5-0.16
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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Frequently Asked Questions

What is the IUPAC name of 3-(3-aminopropylamino)-N-propan-2-ylpropanamide?
The IUPAC name of 3-(3-aminopropylamino)-N-propan-2-ylpropanamide (CID 15227600) is 3-(3-aminopropylamino)-N-propan-2-ylpropanamide.
What is the SMILES notation for 3-(3-aminopropylamino)-N-propan-2-ylpropanamide?
The canonical SMILES for 3-(3-aminopropylamino)-N-propan-2-ylpropanamide is CC(C)NC(=O)CCNCCCN.
What is the InChIKey of 3-(3-aminopropylamino)-N-propan-2-ylpropanamide?
The InChIKey is XYOADPGIUHYCGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21N3O/c1-8(2)12-9(13)4-7-11-6-3-5-10/h8,11H,3-7,10H2,1-2H3,(H,12,13).
What are the key properties of 3-(3-aminopropylamino)-N-propan-2-ylpropanamide?
3-(3-aminopropylamino)-N-propan-2-ylpropanamide has a molecular weight of 187.29 g/mol, XLogP of -0.16, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-aminopropylamino)-N-propan-2-ylpropanamide is sourced from PubChem (CID 15227600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).