4-(aminomethyl)-N-heptan-2-ylbenzamide

C15H24N2O — CID 43575776

IUPAC4-(aminomethyl)-N-heptan-2-ylbenzamide
SMILESCCCCCC(C)NC(=O)c1ccc(CN)cc1
InChIInChI=1S/C15H24N2O/c1-3-4-5-6-12(2)17-15(18)14-9-7-13(11-16)8-10-14/h7-10,12H,3-6,11,16H2,1-2H3,(H,17,18)
InChIKeyMSVUCJBWLBKULU-UHFFFAOYSA-N
MW248.37 g/mol
LogP2.84
Rot. Bonds7

About 4-(aminomethyl)-N-heptan-2-ylbenzamide

4-(aminomethyl)-N-heptan-2-ylbenzamide (PubChem CID 43575776) has the molecular formula C15H24N2O and a molecular weight of 248.37 g/mol. Its IUPAC name is 4-(aminomethyl)-N-heptan-2-ylbenzamide.

Molecular Properties

Compound Name4-(aminomethyl)-N-heptan-2-ylbenzamide
PubChem CID43575776
Molecular FormulaC15H24N2O
Molecular Weight248.37 g/mol
Exact Mass248.19
IUPAC Name4-(aminomethyl)-N-heptan-2-ylbenzamide
SMILESCCCCCC(C)NC(=O)c1ccc(CN)cc1
InChIInChI=1S/C15H24N2O/c1-3-4-5-6-12(2)17-15(18)14-9-7-13(11-16)8-10-14/h7-10,12H,3-6,11,16H2,1-2H3,(H,17,18)
InChIKeyMSVUCJBWLBKULU-UHFFFAOYSA-N
XLogP2.84
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 52.84
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

4-(aminomethyl)-N-[(2R)-butan-2-yl]benzamide
CID 30046782
4-(bromomethyl)-N-octan-2-ylbenzamide
CID 102851160
4-bromo-N-heptan-2-ylbenzamide
CID 3735409
N-octan-2-yl-4-sulfanylbenzamide
CID 107025266
N-octan-2-yl-4-(propylamino)benzamide
CID 63500795
4-fluoro-N-hexan-2-ylbenzamide
CID 62199480
(2R)-2-[[4-(aminomethyl)benzoyl]amino]pentanoic acid
CID 113342255
4-(aminomethyl)-N-dodecylbenzamide
CID 67188292
methyl 3-[[4-(aminomethyl)benzoyl]amino]butanoate;hydrochloride
CID 119274296
N-heptan-2-yl-2,6-dihydroxybenzamide
CID 103748986
4-(bromomethyl)-N-pentan-2-ylbenzamide
CID 102850779
N-methyl-4-[(nonan-2-ylamino)methyl]benzamide
CID 43129912

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-N-heptan-2-ylbenzamide?
The IUPAC name of 4-(aminomethyl)-N-heptan-2-ylbenzamide (CID 43575776) is 4-(aminomethyl)-N-heptan-2-ylbenzamide.
What is the SMILES notation for 4-(aminomethyl)-N-heptan-2-ylbenzamide?
The canonical SMILES for 4-(aminomethyl)-N-heptan-2-ylbenzamide is CCCCCC(C)NC(=O)c1ccc(CN)cc1.
What is the InChIKey of 4-(aminomethyl)-N-heptan-2-ylbenzamide?
The InChIKey is MSVUCJBWLBKULU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O/c1-3-4-5-6-12(2)17-15(18)14-9-7-13(11-16)8-10-14/h7-10,12H,3-6,11,16H2,1-2H3,(H,17,18).
What are the key properties of 4-(aminomethyl)-N-heptan-2-ylbenzamide?
4-(aminomethyl)-N-heptan-2-ylbenzamide has a molecular weight of 248.37 g/mol, XLogP of 2.84, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-N-heptan-2-ylbenzamide is sourced from PubChem (CID 43575776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).