N-[[4-(aminomethyl)phenyl]methyl]-2-propylpentanamide

C16H26N2O — CID 82984622

IUPACN-[[4-(aminomethyl)phenyl]methyl]-2-propylpentanamide
SMILESCCCC(CCC)C(=O)NCc1ccc(CN)cc1
InChIInChI=1S/C16H26N2O/c1-3-5-15(6-4-2)16(19)18-12-14-9-7-13(11-17)8-10-14/h7-10,15H,3-6,11-12,17H2,1-2H3,(H,18,19)
InChIKeyOUYYZLTZGCCCCR-UHFFFAOYSA-N
MW262.40 g/mol
LogP2.98
Rot. Bonds8

About N-[[4-(aminomethyl)phenyl]methyl]-2-propylpentanamide

N-[[4-(aminomethyl)phenyl]methyl]-2-propylpentanamide (PubChem CID 82984622) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is N-[[4-(aminomethyl)phenyl]methyl]-2-propylpentanamide.

Molecular Properties

Compound NameN-[[4-(aminomethyl)phenyl]methyl]-2-propylpentanamide
PubChem CID82984622
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC NameN-[[4-(aminomethyl)phenyl]methyl]-2-propylpentanamide
SMILESCCCC(CCC)C(=O)NCc1ccc(CN)cc1
InChIInChI=1S/C16H26N2O/c1-3-5-15(6-4-2)16(19)18-12-14-9-7-13(11-17)8-10-14/h7-10,15H,3-6,11-12,17H2,1-2H3,(H,18,19)
InChIKeyOUYYZLTZGCCCCR-UHFFFAOYSA-N
XLogP2.98
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(4-carbamothioylphenyl)methyl]-2-propylpentanamide
CID 82984144
N-[[3-(hydroxymethyl)phenyl]methyl]-2-propylpentanamide
CID 115532885
2-(aminomethyl)-N-[(6-methyl-3-pyridinyl)methyl]pentanamide
CID 62997308
2-(aminomethyl)-N-[(3-bromophenyl)methyl]pentanamide
CID 65229446
2-(aminomethyl)-N-[(3-chlorophenyl)methyl]pentanamide
CID 65226161
N-[(4-aminophenyl)methyl]-2-methylpentanamide
CID 60891259
2-(aminomethyl)-N-[2-(benzylamino)-2-oxoethyl]pentanamide
CID 65227019
N-[[4-(aminomethyl)phenyl]methyl]-4-ethylbenzamide
CID 60918762
2-(aminomethyl)-N-[(3-nitrophenyl)methyl]pentanamide
CID 65227942
2-amino-N-benzylpentanamide
CID 11020044
(2S)-2-amino-N-[(4-propan-2-ylphenyl)methyl]pentanamide
CID 107569508
2-(aminomethyl)-N-[(4-ethylphenyl)methyl]-4,4-dimethylpentanamide
CID 107472909

Frequently Asked Questions

What is the IUPAC name of N-[[4-(aminomethyl)phenyl]methyl]-2-propylpentanamide?
The IUPAC name of N-[[4-(aminomethyl)phenyl]methyl]-2-propylpentanamide (CID 82984622) is N-[[4-(aminomethyl)phenyl]methyl]-2-propylpentanamide.
What is the SMILES notation for N-[[4-(aminomethyl)phenyl]methyl]-2-propylpentanamide?
The canonical SMILES for N-[[4-(aminomethyl)phenyl]methyl]-2-propylpentanamide is CCCC(CCC)C(=O)NCc1ccc(CN)cc1.
What is the InChIKey of N-[[4-(aminomethyl)phenyl]methyl]-2-propylpentanamide?
The InChIKey is OUYYZLTZGCCCCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O/c1-3-5-15(6-4-2)16(19)18-12-14-9-7-13(11-17)8-10-14/h7-10,15H,3-6,11-12,17H2,1-2H3,(H,18,19).
What are the key properties of N-[[4-(aminomethyl)phenyl]methyl]-2-propylpentanamide?
N-[[4-(aminomethyl)phenyl]methyl]-2-propylpentanamide has a molecular weight of 262.40 g/mol, XLogP of 2.98, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(aminomethyl)phenyl]methyl]-2-propylpentanamide is sourced from PubChem (CID 82984622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).