2-[3-(aminomethyl)-N-methylanilino]-N-pentan-2-ylpropanamide

C16H27N3O — CID 62970139

IUPAC2-[3-(aminomethyl)-N-methylanilino]-N-pentan-2-ylpropanamide
SMILESCCCC(C)NC(=O)C(C)N(C)c1cccc(CN)c1
InChIInChI=1S/C16H27N3O/c1-5-7-12(2)18-16(20)13(3)19(4)15-9-6-8-14(10-15)11-17/h6,8-10,12-13H,5,7,11,17H2,1-4H3,(H,18,20)
InChIKeyNNMWSPOBRKMPHF-UHFFFAOYSA-N
MW277.41 g/mol
LogP2.27
Rot. Bonds7

About 2-[3-(aminomethyl)-N-methylanilino]-N-pentan-2-ylpropanamide

2-[3-(aminomethyl)-N-methylanilino]-N-pentan-2-ylpropanamide (PubChem CID 62970139) has the molecular formula C16H27N3O and a molecular weight of 277.41 g/mol. Its IUPAC name is 2-[3-(aminomethyl)-N-methylanilino]-N-pentan-2-ylpropanamide.

Molecular Properties

Compound Name2-[3-(aminomethyl)-N-methylanilino]-N-pentan-2-ylpropanamide
PubChem CID62970139
Molecular FormulaC16H27N3O
Molecular Weight277.41 g/mol
Exact Mass277.22
IUPAC Name2-[3-(aminomethyl)-N-methylanilino]-N-pentan-2-ylpropanamide
SMILESCCCC(C)NC(=O)C(C)N(C)c1cccc(CN)c1
InChIInChI=1S/C16H27N3O/c1-5-7-12(2)18-16(20)13(3)19(4)15-9-6-8-14(10-15)11-17/h6,8-10,12-13H,5,7,11,17H2,1-4H3,(H,18,20)
InChIKeyNNMWSPOBRKMPHF-UHFFFAOYSA-N
XLogP2.27
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[3-(aminomethyl)-N-methylanilino]-N-(2-methylpropyl)propanamide
CID 62970312
3-[3-(aminomethyl)-N-methylanilino]-N,2-dimethylpropanamide
CID 106914482
2-[3-(aminomethyl)phenyl]sulfanyl-N-pentan-2-ylacetamide
CID 66353279
2-[[4-(aminomethyl)phenyl]methyl-methylamino]-N-pentan-2-ylacetamide
CID 61489756
2-[3-(aminomethyl)pyrrol-1-yl]-N-pentan-2-ylacetamide
CID 66408404
N-[3-(aminomethyl)phenyl]-N-methylacetamide
CID 2760942
2-[(1-amino-2-methylpropan-2-yl)-methylamino]-N-pentan-2-ylpropanamide
CID 115596141
2-(3-amino-N-methylanilino)-N-(3-methylbutyl)propanamide
CID 61295832
[3-(aminomethyl)phenyl]-methylcarbamothioic S-acid
CID 174643734
2-(3-amino-N-methylanilino)-N-(2-methylbutan-2-yl)propanamide
CID 61296584
2-[4-(aminomethyl)-N-methylanilino]-N-cyclohexylpropanamide
CID 43275576
1-[3-(aminomethyl)phenyl]-3-hexan-2-ylurea
CID 62200638

Frequently Asked Questions

What is the IUPAC name of 2-[3-(aminomethyl)-N-methylanilino]-N-pentan-2-ylpropanamide?
The IUPAC name of 2-[3-(aminomethyl)-N-methylanilino]-N-pentan-2-ylpropanamide (CID 62970139) is 2-[3-(aminomethyl)-N-methylanilino]-N-pentan-2-ylpropanamide.
What is the SMILES notation for 2-[3-(aminomethyl)-N-methylanilino]-N-pentan-2-ylpropanamide?
The canonical SMILES for 2-[3-(aminomethyl)-N-methylanilino]-N-pentan-2-ylpropanamide is CCCC(C)NC(=O)C(C)N(C)c1cccc(CN)c1.
What is the InChIKey of 2-[3-(aminomethyl)-N-methylanilino]-N-pentan-2-ylpropanamide?
The InChIKey is NNMWSPOBRKMPHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O/c1-5-7-12(2)18-16(20)13(3)19(4)15-9-6-8-14(10-15)11-17/h6,8-10,12-13H,5,7,11,17H2,1-4H3,(H,18,20).
What are the key properties of 2-[3-(aminomethyl)-N-methylanilino]-N-pentan-2-ylpropanamide?
2-[3-(aminomethyl)-N-methylanilino]-N-pentan-2-ylpropanamide has a molecular weight of 277.41 g/mol, XLogP of 2.27, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(aminomethyl)-N-methylanilino]-N-pentan-2-ylpropanamide is sourced from PubChem (CID 62970139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).