7-amino-N-(2-methylbutyl)heptanamide

C12H26N2O — CID 62693522

IUPAC7-amino-N-(2-methylbutyl)heptanamide
SMILESCCC(C)CNC(=O)CCCCCCN
InChIInChI=1S/C12H26N2O/c1-3-11(2)10-14-12(15)8-6-4-5-7-9-13/h11H,3-10,13H2,1-2H3,(H,14,15)
InChIKeyOTKUNOXQKAPNFV-UHFFFAOYSA-N
MW214.35 g/mol
LogP2.06
Rot. Bonds9

About 7-amino-N-(2-methylbutyl)heptanamide

7-amino-N-(2-methylbutyl)heptanamide (PubChem CID 62693522) has the molecular formula C12H26N2O and a molecular weight of 214.35 g/mol. Its IUPAC name is 7-amino-N-(2-methylbutyl)heptanamide.

Molecular Properties

Compound Name7-amino-N-(2-methylbutyl)heptanamide
PubChem CID62693522
Molecular FormulaC12H26N2O
Molecular Weight214.35 g/mol
Exact Mass214.20
IUPAC Name7-amino-N-(2-methylbutyl)heptanamide
SMILESCCC(C)CNC(=O)CCCCCCN
InChIInChI=1S/C12H26N2O/c1-3-11(2)10-14-12(15)8-6-4-5-7-9-13/h11H,3-10,13H2,1-2H3,(H,14,15)
InChIKeyOTKUNOXQKAPNFV-UHFFFAOYSA-N
XLogP2.06
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.35
LogP ≤ 52.06
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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Related Compounds

6-amino-N-(2-methylpropyl)hexanamide
CID 24696940
5-amino-N-(4-hydroxy-2-methylbutyl)pentanamide
CID 66090702
7-amino-N-(2-hydroxy-3-methylpentyl)heptanamide;hydrochloride
CID 119784017
7-amino-N-(2,3-dimethylbutyl)heptanamide;hydrochloride
CID 119796493
N-[3-(hexadecanoylamino)-2-methylpropyl]hexadecanamide
CID 130353709
7-amino-N-(2-methyl-3-pyrrolidin-1-ylpropyl)heptanamide
CID 62060956
2-[(6-aminohexanoylamino)methyl]-3-methylbutanoic acid
CID 65224486
5-amino-N-(2,2-diethoxyethyl)pentanamide
CID 79547358
4-hydroxy-N-(2-methylbutyl)pentanamide
CID 79193367
7-amino-N-[2-(2-methylpropanoylamino)ethyl]heptanamide
CID 61249058
6-amino-N-[2-(2-methylpropanoylamino)ethyl]hexanamide
CID 61247753
N-(4-chloro-2-methylbutyl)nonanamide
CID 114306121

Frequently Asked Questions

What is the IUPAC name of 7-amino-N-(2-methylbutyl)heptanamide?
The IUPAC name of 7-amino-N-(2-methylbutyl)heptanamide (CID 62693522) is 7-amino-N-(2-methylbutyl)heptanamide.
What is the SMILES notation for 7-amino-N-(2-methylbutyl)heptanamide?
The canonical SMILES for 7-amino-N-(2-methylbutyl)heptanamide is CCC(C)CNC(=O)CCCCCCN.
What is the InChIKey of 7-amino-N-(2-methylbutyl)heptanamide?
The InChIKey is OTKUNOXQKAPNFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O/c1-3-11(2)10-14-12(15)8-6-4-5-7-9-13/h11H,3-10,13H2,1-2H3,(H,14,15).
What are the key properties of 7-amino-N-(2-methylbutyl)heptanamide?
7-amino-N-(2-methylbutyl)heptanamide has a molecular weight of 214.35 g/mol, XLogP of 2.06, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-amino-N-(2-methylbutyl)heptanamide is sourced from PubChem (CID 62693522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).