2-(aminomethyl)-N-benzyl-N-(1-cyclopropylethyl)-3-methylbutanamide

C18H28N2O — CID 65229552

IUPAC2-(aminomethyl)-N-benzyl-N-(1-cyclopropylethyl)-3-methylbutanamide
SMILESCC(C)C(CN)C(=O)N(Cc1ccccc1)C(C)C1CC1
InChIInChI=1S/C18H28N2O/c1-13(2)17(11-19)18(21)20(14(3)16-9-10-16)12-15-7-5-4-6-8-15/h4-8,13-14,16-17H,9-12,19H2,1-3H3
InChIKeyFWVCPMLULFCSSC-UHFFFAOYSA-N
MW288.44 g/mol
LogP3.04
Rot. Bonds7

About 2-(aminomethyl)-N-benzyl-N-(1-cyclopropylethyl)-3-methylbutanamide

2-(aminomethyl)-N-benzyl-N-(1-cyclopropylethyl)-3-methylbutanamide (PubChem CID 65229552) has the molecular formula C18H28N2O and a molecular weight of 288.44 g/mol. Its IUPAC name is 2-(aminomethyl)-N-benzyl-N-(1-cyclopropylethyl)-3-methylbutanamide.

Molecular Properties

Compound Name2-(aminomethyl)-N-benzyl-N-(1-cyclopropylethyl)-3-methylbutanamide
PubChem CID65229552
Molecular FormulaC18H28N2O
Molecular Weight288.44 g/mol
Exact Mass288.22
IUPAC Name2-(aminomethyl)-N-benzyl-N-(1-cyclopropylethyl)-3-methylbutanamide
SMILESCC(C)C(CN)C(=O)N(Cc1ccccc1)C(C)C1CC1
InChIInChI=1S/C18H28N2O/c1-13(2)17(11-19)18(21)20(14(3)16-9-10-16)12-15-7-5-4-6-8-15/h4-8,13-14,16-17H,9-12,19H2,1-3H3
InChIKeyFWVCPMLULFCSSC-UHFFFAOYSA-N
XLogP3.04
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.44
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(aminomethyl)-N-benzyl-N-(1-cyclopropylethyl)butanamide
CID 65229551
3-amino-N-benzyl-N-(1-cyclopropylethyl)propanamide;hydrochloride
CID 119265819
4-amino-N-benzyl-N-(1-cyclopropylethyl)butanamide;hydrochloride
CID 119265829
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)pentanamide
CID 78805275
N-benzyl-4-chloro-N-[(1S)-1-cyclopropylethyl]benzamide
CID 92643816
N-benzyl-2-(4-bromophenyl)-N-(1-cyclopropylethyl)acetamide
CID 60592231
N-benzyl-5-chloro-N-(1-cyclopropylethyl)pentanamide
CID 60948375
N-benzyl-N-(1-cyclopropylethyl)-2-(2-methoxyethylamino)acetamide
CID 78913957
N-benzyl-N-(1-cyclopropylethyl)-3-(ethylamino)butanamide
CID 62839563

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-N-benzyl-N-(1-cyclopropylethyl)-3-methylbutanamide?
The IUPAC name of 2-(aminomethyl)-N-benzyl-N-(1-cyclopropylethyl)-3-methylbutanamide (CID 65229552) is 2-(aminomethyl)-N-benzyl-N-(1-cyclopropylethyl)-3-methylbutanamide.
What is the SMILES notation for 2-(aminomethyl)-N-benzyl-N-(1-cyclopropylethyl)-3-methylbutanamide?
The canonical SMILES for 2-(aminomethyl)-N-benzyl-N-(1-cyclopropylethyl)-3-methylbutanamide is CC(C)C(CN)C(=O)N(Cc1ccccc1)C(C)C1CC1.
What is the InChIKey of 2-(aminomethyl)-N-benzyl-N-(1-cyclopropylethyl)-3-methylbutanamide?
The InChIKey is FWVCPMLULFCSSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O/c1-13(2)17(11-19)18(21)20(14(3)16-9-10-16)12-15-7-5-4-6-8-15/h4-8,13-14,16-17H,9-12,19H2,1-3H3.
What are the key properties of 2-(aminomethyl)-N-benzyl-N-(1-cyclopropylethyl)-3-methylbutanamide?
2-(aminomethyl)-N-benzyl-N-(1-cyclopropylethyl)-3-methylbutanamide has a molecular weight of 288.44 g/mol, XLogP of 3.04, 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)-3-methylbutanamide is sourced from PubChem (CID 65229552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).