N-[[1-(aminomethyl)cyclopropyl]methyl]-4-(2-methylphenyl)butanamide

C16H24N2O — CID 115271407

IUPACN-[[1-(aminomethyl)cyclopropyl]methyl]-4-(2-methylphenyl)butanamide
SMILESCc1ccccc1CCCC(=O)NCC1(CN)CC1
InChIInChI=1S/C16H24N2O/c1-13-5-2-3-6-14(13)7-4-8-15(19)18-12-16(11-17)9-10-16/h2-3,5-6H,4,7-12,17H2,1H3,(H,18,19)
InChIKeyCADMMDNQJAKHSY-UHFFFAOYSA-N
MW260.38 g/mol
LogP2.17
Rot. Bonds7

About N-[[1-(aminomethyl)cyclopropyl]methyl]-4-(2-methylphenyl)butanamide

N-[[1-(aminomethyl)cyclopropyl]methyl]-4-(2-methylphenyl)butanamide (PubChem CID 115271407) has the molecular formula C16H24N2O and a molecular weight of 260.38 g/mol. Its IUPAC name is N-[[1-(aminomethyl)cyclopropyl]methyl]-4-(2-methylphenyl)butanamide.

Molecular Properties

Compound NameN-[[1-(aminomethyl)cyclopropyl]methyl]-4-(2-methylphenyl)butanamide
PubChem CID115271407
Molecular FormulaC16H24N2O
Molecular Weight260.38 g/mol
Exact Mass260.19
IUPAC NameN-[[1-(aminomethyl)cyclopropyl]methyl]-4-(2-methylphenyl)butanamide
SMILESCc1ccccc1CCCC(=O)NCC1(CN)CC1
InChIInChI=1S/C16H24N2O/c1-13-5-2-3-6-14(13)7-4-8-15(19)18-12-16(11-17)9-10-16/h2-3,5-6H,4,7-12,17H2,1H3,(H,18,19)
InChIKeyCADMMDNQJAKHSY-UHFFFAOYSA-N
XLogP2.17
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(1-hydroxycyclopentyl)methyl]-4-(2-methylphenyl)butanamide
CID 110427466
N-methyl-4-(2-methylphenyl)butanamide
CID 67667120
N-methoxy-4-(2-methylphenyl)butanamide
CID 110611839
N-[[1-(aminomethyl)cyclopropyl]methyl]-1-(2-methylphenyl)methanamine
CID 115244158
N-[[1-(2-aminoethyl)cyclopropyl]methyl]-4-phenylbutanamide
CID 114758855
[1-[2-(2-methylphenyl)ethyl]cyclopropyl]methanamine
CID 82404323
N-[[1-(aminomethyl)cyclopropyl]methyl]-2-(4-methylphenyl)acetamide
CID 113313642
4-(2-methylphenyl)butanamide
CID 22103596
N-(2-aminoethyl)-3-(2-methylphenyl)propanamide
CID 62367065
N'-(3-aminopropanoyl)-3-(2-methylphenyl)propanehydrazide
CID 94268169
5-[2-(2-methylphenyl)ethylamino]-5-oxopentanoic acid
CID 78911171
N-[[1-(chloromethyl)cyclohexyl]methyl]-2-(2-methylphenyl)acetamide
CID 103969602

Frequently Asked Questions

What is the IUPAC name of N-[[1-(aminomethyl)cyclopropyl]methyl]-4-(2-methylphenyl)butanamide?
The IUPAC name of N-[[1-(aminomethyl)cyclopropyl]methyl]-4-(2-methylphenyl)butanamide (CID 115271407) is N-[[1-(aminomethyl)cyclopropyl]methyl]-4-(2-methylphenyl)butanamide.
What is the SMILES notation for N-[[1-(aminomethyl)cyclopropyl]methyl]-4-(2-methylphenyl)butanamide?
The canonical SMILES for N-[[1-(aminomethyl)cyclopropyl]methyl]-4-(2-methylphenyl)butanamide is Cc1ccccc1CCCC(=O)NCC1(CN)CC1.
What is the InChIKey of N-[[1-(aminomethyl)cyclopropyl]methyl]-4-(2-methylphenyl)butanamide?
The InChIKey is CADMMDNQJAKHSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O/c1-13-5-2-3-6-14(13)7-4-8-15(19)18-12-16(11-17)9-10-16/h2-3,5-6H,4,7-12,17H2,1H3,(H,18,19).
What are the key properties of N-[[1-(aminomethyl)cyclopropyl]methyl]-4-(2-methylphenyl)butanamide?
N-[[1-(aminomethyl)cyclopropyl]methyl]-4-(2-methylphenyl)butanamide has a molecular weight of 260.38 g/mol, XLogP of 2.17, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(aminomethyl)cyclopropyl]methyl]-4-(2-methylphenyl)butanamide is sourced from PubChem (CID 115271407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).