6-amino-2-methyl-N-pentylheptanamide

C13H28N2O — CID 65292783

IUPAC6-amino-2-methyl-N-pentylheptanamide
SMILESCCCCCNC(=O)C(C)CCCC(C)N
InChIInChI=1S/C13H28N2O/c1-4-5-6-10-15-13(16)11(2)8-7-9-12(3)14/h11-12H,4-10,14H2,1-3H3,(H,15,16)
InChIKeyJDNBDLHCOYUSBW-UHFFFAOYSA-N
MW228.38 g/mol
LogP2.45
Rot. Bonds9

About 6-amino-2-methyl-N-pentylheptanamide

6-amino-2-methyl-N-pentylheptanamide (PubChem CID 65292783) has the molecular formula C13H28N2O and a molecular weight of 228.38 g/mol. Its IUPAC name is 6-amino-2-methyl-N-pentylheptanamide.

Molecular Properties

Compound Name6-amino-2-methyl-N-pentylheptanamide
PubChem CID65292783
Molecular FormulaC13H28N2O
Molecular Weight228.38 g/mol
Exact Mass228.22
IUPAC Name6-amino-2-methyl-N-pentylheptanamide
SMILESCCCCCNC(=O)C(C)CCCC(C)N
InChIInChI=1S/C13H28N2O/c1-4-5-6-10-15-13(16)11(2)8-7-9-12(3)14/h11-12H,4-10,14H2,1-3H3,(H,15,16)
InChIKeyJDNBDLHCOYUSBW-UHFFFAOYSA-N
XLogP2.45
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 ≤ 52.45
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-2-methyl-N-propylheptanamide
CID 65292773
6-amino-N-(4-hydroxybutyl)-2-methylheptanamide
CID 106841939
2-methyl-N-nonyldecanamide
CID 141429494
5-amino-2-methyl-N-pentylpentanamide
CID 104683456
6-amino-2-methyl-N-(3-methylbutyl)heptanamide
CID 65293191
6-amino-N-[2-(carbamoylamino)ethyl]-2-methylheptanamide
CID 83109295
6-amino-2-methyl-N-(4,4,4-trifluorobutyl)heptanamide
CID 113327443
2-amino-3-chloro-N-pentylpropanamide
CID 18966849
(2S)-3-amino-N-hexyl-2-methylpropanamide
CID 166872434
6-amino-2-methyl-N-prop-2-ynylheptanamide
CID 65292646
6-amino-2-methyl-N-(2-pyrrolidin-1-ylethyl)heptanamide
CID 65292561
2-amino-N-hexylhexanamide
CID 60852762

Frequently Asked Questions

What is the IUPAC name of 6-amino-2-methyl-N-pentylheptanamide?
The IUPAC name of 6-amino-2-methyl-N-pentylheptanamide (CID 65292783) is 6-amino-2-methyl-N-pentylheptanamide.
What is the SMILES notation for 6-amino-2-methyl-N-pentylheptanamide?
The canonical SMILES for 6-amino-2-methyl-N-pentylheptanamide is CCCCCNC(=O)C(C)CCCC(C)N.
What is the InChIKey of 6-amino-2-methyl-N-pentylheptanamide?
The InChIKey is JDNBDLHCOYUSBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2O/c1-4-5-6-10-15-13(16)11(2)8-7-9-12(3)14/h11-12H,4-10,14H2,1-3H3,(H,15,16).
What are the key properties of 6-amino-2-methyl-N-pentylheptanamide?
6-amino-2-methyl-N-pentylheptanamide has a molecular weight of 228.38 g/mol, XLogP of 2.45, 9 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-pentylheptanamide is sourced from PubChem (CID 65292783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).