6-amino-2-methyl-N-(3-methylbutyl)heptanamide

C13H28N2O — CID 65293191

IUPAC6-amino-2-methyl-N-(3-methylbutyl)heptanamide
SMILESCC(C)CCNC(=O)C(C)CCCC(C)N
InChIInChI=1S/C13H28N2O/c1-10(2)8-9-15-13(16)11(3)6-5-7-12(4)14/h10-12H,5-9,14H2,1-4H3,(H,15,16)
InChIKeyPSKSUBCMKWSXEF-UHFFFAOYSA-N
MW228.38 g/mol
LogP2.30
Rot. Bonds8

About 6-amino-2-methyl-N-(3-methylbutyl)heptanamide

6-amino-2-methyl-N-(3-methylbutyl)heptanamide (PubChem CID 65293191) has the molecular formula C13H28N2O and a molecular weight of 228.38 g/mol. Its IUPAC name is 6-amino-2-methyl-N-(3-methylbutyl)heptanamide.

Molecular Properties

Compound Name6-amino-2-methyl-N-(3-methylbutyl)heptanamide
PubChem CID65293191
Molecular FormulaC13H28N2O
Molecular Weight228.38 g/mol
Exact Mass228.22
IUPAC Name6-amino-2-methyl-N-(3-methylbutyl)heptanamide
SMILESCC(C)CCNC(=O)C(C)CCCC(C)N
InChIInChI=1S/C13H28N2O/c1-10(2)8-9-15-13(16)11(3)6-5-7-12(4)14/h10-12H,5-9,14H2,1-4H3,(H,15,16)
InChIKeyPSKSUBCMKWSXEF-UHFFFAOYSA-N
XLogP2.30
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
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

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Related Compounds

6-amino-2-methyl-N-propylheptanamide
CID 65292773
6-amino-N-[2-(carbamoylamino)ethyl]-2-methylheptanamide
CID 83109295
6-amino-2-methyl-N-pentylheptanamide
CID 65292783
6-amino-N-(4-hydroxybutyl)-2-methylheptanamide
CID 106841939
6-amino-2-methyl-N-(4,4,4-trifluorobutyl)heptanamide
CID 113327443
6-amino-2-methyl-N-prop-2-ynylheptanamide
CID 65292646
3-chloro-2-methyl-N-(3-methylbutyl)propanamide
CID 62726569
6-amino-2-methyl-N-(2-pyrrolidin-1-ylethyl)heptanamide
CID 65292561
6-amino-2-methyl-N-(4-methylpentan-2-yl)heptanamide
CID 65292557
6-amino-N-[1-(dimethylamino)-4-methylpentan-2-yl]-2-methylheptanamide
CID 65290404
6-amino-N-[2-[cyclopropyl(methyl)amino]ethyl]-2-methylheptanamide
CID 65291228
1,3-bis(3-methylbutyl)urea
CID 22563958

Frequently Asked Questions

What is the IUPAC name of 6-amino-2-methyl-N-(3-methylbutyl)heptanamide?
The IUPAC name of 6-amino-2-methyl-N-(3-methylbutyl)heptanamide (CID 65293191) is 6-amino-2-methyl-N-(3-methylbutyl)heptanamide.
What is the SMILES notation for 6-amino-2-methyl-N-(3-methylbutyl)heptanamide?
The canonical SMILES for 6-amino-2-methyl-N-(3-methylbutyl)heptanamide is CC(C)CCNC(=O)C(C)CCCC(C)N.
What is the InChIKey of 6-amino-2-methyl-N-(3-methylbutyl)heptanamide?
The InChIKey is PSKSUBCMKWSXEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2O/c1-10(2)8-9-15-13(16)11(3)6-5-7-12(4)14/h10-12H,5-9,14H2,1-4H3,(H,15,16).
What are the key properties of 6-amino-2-methyl-N-(3-methylbutyl)heptanamide?
6-amino-2-methyl-N-(3-methylbutyl)heptanamide has a molecular weight of 228.38 g/mol, XLogP of 2.30, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-2-methyl-N-(3-methylbutyl)heptanamide is sourced from PubChem (CID 65293191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).