3-amino-N-(4,4-dimethylpentyl)propanamide

C10H22N2O — CID 20608664

IUPAC3-amino-N-(4,4-dimethylpentyl)propanamide
SMILESCC(C)(C)CCCNC(=O)CCN
InChIInChI=1S/C10H22N2O/c1-10(2,3)6-4-8-12-9(13)5-7-11/h4-8,11H2,1-3H3,(H,12,13)
InChIKeyFNSGAIOBSRQCHK-UHFFFAOYSA-N
MW186.30 g/mol
LogP1.28
Rot. Bonds5

About 3-amino-N-(4,4-dimethylpentyl)propanamide

3-amino-N-(4,4-dimethylpentyl)propanamide (PubChem CID 20608664) has the molecular formula C10H22N2O and a molecular weight of 186.30 g/mol. Its IUPAC name is 3-amino-N-(4,4-dimethylpentyl)propanamide.

Molecular Properties

Compound Name3-amino-N-(4,4-dimethylpentyl)propanamide
PubChem CID20608664
Molecular FormulaC10H22N2O
Molecular Weight186.30 g/mol
Exact Mass186.17
IUPAC Name3-amino-N-(4,4-dimethylpentyl)propanamide
SMILESCC(C)(C)CCCNC(=O)CCN
InChIInChI=1S/C10H22N2O/c1-10(2,3)6-4-8-12-9(13)5-7-11/h4-8,11H2,1-3H3,(H,12,13)
InChIKeyFNSGAIOBSRQCHK-UHFFFAOYSA-N
XLogP1.28
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.30
LogP ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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-amino-N-(4,4-dimethylpentyl)propanamide?
The IUPAC name of 3-amino-N-(4,4-dimethylpentyl)propanamide (CID 20608664) is 3-amino-N-(4,4-dimethylpentyl)propanamide.
What is the SMILES notation for 3-amino-N-(4,4-dimethylpentyl)propanamide?
The canonical SMILES for 3-amino-N-(4,4-dimethylpentyl)propanamide is CC(C)(C)CCCNC(=O)CCN.
What is the InChIKey of 3-amino-N-(4,4-dimethylpentyl)propanamide?
The InChIKey is FNSGAIOBSRQCHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2O/c1-10(2,3)6-4-8-12-9(13)5-7-11/h4-8,11H2,1-3H3,(H,12,13).
What are the key properties of 3-amino-N-(4,4-dimethylpentyl)propanamide?
3-amino-N-(4,4-dimethylpentyl)propanamide has a molecular weight of 186.30 g/mol, XLogP of 1.28, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(4,4-dimethylpentyl)propanamide is sourced from PubChem (CID 20608664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).