2-(aminomethyl)-N-benzyl-N-(1-cyclopropylethyl)butanamide

C17H26N2O — CID 65229551

IUPAC2-(aminomethyl)-N-benzyl-N-(1-cyclopropylethyl)butanamide
SMILESCCC(CN)C(=O)N(Cc1ccccc1)C(C)C1CC1
InChIInChI=1S/C17H26N2O/c1-3-15(11-18)17(20)19(13(2)16-9-10-16)12-14-7-5-4-6-8-14/h4-8,13,15-16H,3,9-12,18H2,1-2H3
InChIKeyZITKOVCOSVZRCL-UHFFFAOYSA-N
MW274.41 g/mol
LogP2.80
Rot. Bonds7

About 2-(aminomethyl)-N-benzyl-N-(1-cyclopropylethyl)butanamide

2-(aminomethyl)-N-benzyl-N-(1-cyclopropylethyl)butanamide (PubChem CID 65229551) has the molecular formula C17H26N2O and a molecular weight of 274.41 g/mol. Its IUPAC name is 2-(aminomethyl)-N-benzyl-N-(1-cyclopropylethyl)butanamide.

Molecular Properties

Compound Name2-(aminomethyl)-N-benzyl-N-(1-cyclopropylethyl)butanamide
PubChem CID65229551
Molecular FormulaC17H26N2O
Molecular Weight274.41 g/mol
Exact Mass274.20
IUPAC Name2-(aminomethyl)-N-benzyl-N-(1-cyclopropylethyl)butanamide
SMILESCCC(CN)C(=O)N(Cc1ccccc1)C(C)C1CC1
InChIInChI=1S/C17H26N2O/c1-3-15(11-18)17(20)19(13(2)16-9-10-16)12-14-7-5-4-6-8-14/h4-8,13,15-16H,3,9-12,18H2,1-2H3
InChIKeyZITKOVCOSVZRCL-UHFFFAOYSA-N
XLogP2.80
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.41
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(aminomethyl)-N-benzyl-N-(1-cyclopropylethyl)-3-methylbutanamide
CID 65229552
3-amino-N-benzyl-N-(1-cyclopropylethyl)propanamide;hydrochloride
CID 119265819
4-amino-N-benzyl-N-(1-cyclopropylethyl)butanamide;hydrochloride
CID 119265829
N-benzyl-N-(1-cyclopropylethyl)pentanamide
CID 78805275
2-amino-N-[2-[benzyl(1-cyclopropylethyl)amino]-2-oxoethyl]acetamide
CID 60939851
3-amino-N-benzyl-N-(1-cyclopropylethyl)-3-phenylpropanamide
CID 119948804
N-benzyl-N-(1-cyclopropylethyl)-4-hydroxypentanamide
CID 79200111
N-benzyl-N-(1-cyclopropylethyl)-3-(ethylamino)butanamide
CID 62839563
N-benzyl-4-chloro-N-[(1S)-1-cyclopropylethyl]benzamide
CID 92643816
2-(aminomethyl)-N-[(3-chlorophenyl)methyl]-N-propan-2-ylbutanamide
CID 65227482
N-benzyl-5-chloro-N-(1-cyclopropylethyl)pentanamide
CID 60948375
N-benzyl-2-(4-bromophenyl)-N-(1-cyclopropylethyl)acetamide
CID 60592231

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-N-benzyl-N-(1-cyclopropylethyl)butanamide?
The IUPAC name of 2-(aminomethyl)-N-benzyl-N-(1-cyclopropylethyl)butanamide (CID 65229551) is 2-(aminomethyl)-N-benzyl-N-(1-cyclopropylethyl)butanamide.
What is the SMILES notation for 2-(aminomethyl)-N-benzyl-N-(1-cyclopropylethyl)butanamide?
The canonical SMILES for 2-(aminomethyl)-N-benzyl-N-(1-cyclopropylethyl)butanamide is CCC(CN)C(=O)N(Cc1ccccc1)C(C)C1CC1.
What is the InChIKey of 2-(aminomethyl)-N-benzyl-N-(1-cyclopropylethyl)butanamide?
The InChIKey is ZITKOVCOSVZRCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O/c1-3-15(11-18)17(20)19(13(2)16-9-10-16)12-14-7-5-4-6-8-14/h4-8,13,15-16H,3,9-12,18H2,1-2H3.
What are the key properties of 2-(aminomethyl)-N-benzyl-N-(1-cyclopropylethyl)butanamide?
2-(aminomethyl)-N-benzyl-N-(1-cyclopropylethyl)butanamide has a molecular weight of 274.41 g/mol, XLogP of 2.80, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-N-benzyl-N-(1-cyclopropylethyl)butanamide is sourced from PubChem (CID 65229551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).