N-(3-amino-7,9-dimethyldecan-5-yl)formamide

C13H28N2O — CID 90132435

IUPACN-(3-amino-7,9-dimethyldecan-5-yl)formamide
SMILESCCC(N)CC(CC(C)CC(C)C)NC=O
InChIInChI=1S/C13H28N2O/c1-5-12(14)8-13(15-9-16)7-11(4)6-10(2)3/h9-13H,5-8,14H2,1-4H3,(H,15,16)
InChIKeyOJZHRGXFLYVNQH-UHFFFAOYSA-N
MW228.38 g/mol
LogP2.30
Rot. Bonds9

About N-(3-amino-7,9-dimethyldecan-5-yl)formamide

N-(3-amino-7,9-dimethyldecan-5-yl)formamide (PubChem CID 90132435) has the molecular formula C13H28N2O and a molecular weight of 228.38 g/mol. Its IUPAC name is N-(3-amino-7,9-dimethyldecan-5-yl)formamide.

Molecular Properties

Compound NameN-(3-amino-7,9-dimethyldecan-5-yl)formamide
PubChem CID90132435
Molecular FormulaC13H28N2O
Molecular Weight228.38 g/mol
Exact Mass228.22
IUPAC NameN-(3-amino-7,9-dimethyldecan-5-yl)formamide
SMILESCCC(N)CC(CC(C)CC(C)C)NC=O
InChIInChI=1S/C13H28N2O/c1-5-12(14)8-13(15-9-16)7-11(4)6-10(2)3/h9-13H,5-8,14H2,1-4H3,(H,15,16)
InChIKeyOJZHRGXFLYVNQH-UHFFFAOYSA-N
XLogP2.30
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.38
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(3-amino-7,9-dimethyldecan-5-yl)formamide?
The IUPAC name of N-(3-amino-7,9-dimethyldecan-5-yl)formamide (CID 90132435) is N-(3-amino-7,9-dimethyldecan-5-yl)formamide.
What is the SMILES notation for N-(3-amino-7,9-dimethyldecan-5-yl)formamide?
The canonical SMILES for N-(3-amino-7,9-dimethyldecan-5-yl)formamide is CCC(N)CC(CC(C)CC(C)C)NC=O.
What is the InChIKey of N-(3-amino-7,9-dimethyldecan-5-yl)formamide?
The InChIKey is OJZHRGXFLYVNQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2O/c1-5-12(14)8-13(15-9-16)7-11(4)6-10(2)3/h9-13H,5-8,14H2,1-4H3,(H,15,16).
What are the key properties of N-(3-amino-7,9-dimethyldecan-5-yl)formamide?
N-(3-amino-7,9-dimethyldecan-5-yl)formamide has a molecular weight of 228.38 g/mol, XLogP of 2.30, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-7,9-dimethyldecan-5-yl)formamide is sourced from PubChem (CID 90132435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).