7-amino-N-methyl-N-(2-methylpropyl)heptanamide

C12H26N2O — CID 43272143

IUPAC7-amino-N-methyl-N-(2-methylpropyl)heptanamide
SMILESCC(C)CN(C)C(=O)CCCCCCN
InChIInChI=1S/C12H26N2O/c1-11(2)10-14(3)12(15)8-6-4-5-7-9-13/h11H,4-10,13H2,1-3H3
InChIKeyVXWWCBWEICVVPP-UHFFFAOYSA-N
MW214.35 g/mol
LogP2.01
Rot. Bonds8

About 7-amino-N-methyl-N-(2-methylpropyl)heptanamide

7-amino-N-methyl-N-(2-methylpropyl)heptanamide (PubChem CID 43272143) has the molecular formula C12H26N2O and a molecular weight of 214.35 g/mol. Its IUPAC name is 7-amino-N-methyl-N-(2-methylpropyl)heptanamide.

Molecular Properties

Compound Name7-amino-N-methyl-N-(2-methylpropyl)heptanamide
PubChem CID43272143
Molecular FormulaC12H26N2O
Molecular Weight214.35 g/mol
Exact Mass214.20
IUPAC Name7-amino-N-methyl-N-(2-methylpropyl)heptanamide
SMILESCC(C)CN(C)C(=O)CCCCCCN
InChIInChI=1S/C12H26N2O/c1-11(2)10-14(3)12(15)8-6-4-5-7-9-13/h11H,4-10,13H2,1-3H3
InChIKeyVXWWCBWEICVVPP-UHFFFAOYSA-N
XLogP2.01
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.35
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-amino-N-methyl-N-(2-methylpropyl)butanamide
CID 43272157
N,17-dimethyl-N-(2-methylpropyl)-16-oxooctadecanamide
CID 169316878
N,11-dimethyl-N-(2-methylpropyl)-10-oxododecanamide
CID 166695144
7-amino-N-methyl-N-[2-methyl-3-(methylamino)-3-oxopropyl]heptanamide
CID 103812823
N,5-dimethyl-N-(2-methylpropyl)hexanamide
CID 147805766
N-methyl-N-(2-methylpropyl)-16-oxooctadecanamide
CID 156819631
5-amino-N-(2-methylpropyl)-N-propan-2-ylpentanamide
CID 23588366
N-methyl-N-(2-methylpropyl)-5-(propan-2-ylamino)pentanamide
CID 165153495
N-methyl-N-(2-methylpropyl)-5-propan-2-yloxypentanamide
CID 164715578
7-amino-N-methyl-N-(2-propan-2-yloxyethyl)heptanamide
CID 81056335
N-(3-amino-2-methylpropyl)-N-methyldecanamide
CID 65448907
4-[6-aminohexanoyl(methyl)amino]butanoic acid
CID 61160590

Frequently Asked Questions

What is the IUPAC name of 7-amino-N-methyl-N-(2-methylpropyl)heptanamide?
The IUPAC name of 7-amino-N-methyl-N-(2-methylpropyl)heptanamide (CID 43272143) is 7-amino-N-methyl-N-(2-methylpropyl)heptanamide.
What is the SMILES notation for 7-amino-N-methyl-N-(2-methylpropyl)heptanamide?
The canonical SMILES for 7-amino-N-methyl-N-(2-methylpropyl)heptanamide is CC(C)CN(C)C(=O)CCCCCCN.
What is the InChIKey of 7-amino-N-methyl-N-(2-methylpropyl)heptanamide?
The InChIKey is VXWWCBWEICVVPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O/c1-11(2)10-14(3)12(15)8-6-4-5-7-9-13/h11H,4-10,13H2,1-3H3.
What are the key properties of 7-amino-N-methyl-N-(2-methylpropyl)heptanamide?
7-amino-N-methyl-N-(2-methylpropyl)heptanamide has a molecular weight of 214.35 g/mol, XLogP of 2.01, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-amino-N-methyl-N-(2-methylpropyl)heptanamide is sourced from PubChem (CID 43272143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).