N-[(1-methylcyclopentyl)methyl]-4-(propan-2-ylamino)butanamide

C14H28N2O — CID 63831409

IUPACN-[(1-methylcyclopentyl)methyl]-4-(propan-2-ylamino)butanamide
SMILESCC(C)NCCCC(=O)NCC1(C)CCCC1
InChIInChI=1S/C14H28N2O/c1-12(2)15-10-6-7-13(17)16-11-14(3)8-4-5-9-14/h12,15H,4-11H2,1-3H3,(H,16,17)
InChIKeyQDQWIINHWXAJFD-UHFFFAOYSA-N
MW240.39 g/mol
LogP2.46
Rot. Bonds7

About N-[(1-methylcyclopentyl)methyl]-4-(propan-2-ylamino)butanamide

N-[(1-methylcyclopentyl)methyl]-4-(propan-2-ylamino)butanamide (PubChem CID 63831409) has the molecular formula C14H28N2O and a molecular weight of 240.39 g/mol. Its IUPAC name is N-[(1-methylcyclopentyl)methyl]-4-(propan-2-ylamino)butanamide.

Molecular Properties

Compound NameN-[(1-methylcyclopentyl)methyl]-4-(propan-2-ylamino)butanamide
PubChem CID63831409
Molecular FormulaC14H28N2O
Molecular Weight240.39 g/mol
Exact Mass240.22
IUPAC NameN-[(1-methylcyclopentyl)methyl]-4-(propan-2-ylamino)butanamide
SMILESCC(C)NCCCC(=O)NCC1(C)CCCC1
InChIInChI=1S/C14H28N2O/c1-12(2)15-10-6-7-13(17)16-11-14(3)8-4-5-9-14/h12,15H,4-11H2,1-3H3,(H,16,17)
InChIKeyQDQWIINHWXAJFD-UHFFFAOYSA-N
XLogP2.46
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.39
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-[(1-methylcyclopentyl)methylamino]-5-oxopentanoic acid
CID 63822209
N-[(1-hydroxy-4-methylcyclohexyl)methyl]-4-(propan-2-ylamino)butanamide
CID 65120168
N-(2-methylpropyl)-4-(propan-2-ylamino)butanamide
CID 60850925
N-butyl-4-(propan-2-ylamino)butanamide
CID 60851986
1-[[3-(propan-2-ylamino)propanoylamino]methyl]cyclopropane-1-carboxylic acid
CID 115450774
N-[[1-(dimethylamino)cyclohexyl]methyl]-3-(propan-2-ylamino)propanamide
CID 61248624
N-methyl-4-(propan-2-ylamino)butanamide
CID 21054795
2-[[2-[4-(propan-2-ylamino)butanoylamino]acetyl]amino]acetic acid
CID 61160831
N-(2-oxobutyl)-4-(propan-2-ylamino)butanamide
CID 126587174
4-(propan-2-ylamino)-N-(2-pyrrolidin-1-ylethyl)butanamide
CID 60850954
4-[3-(propan-2-ylamino)propanoylamino]butanoic acid
CID 61157472
N-(2-methylpropyl)-5-(propan-2-ylamino)pentanamide
CID 146802070

Frequently Asked Questions

What is the IUPAC name of N-[(1-methylcyclopentyl)methyl]-4-(propan-2-ylamino)butanamide?
The IUPAC name of N-[(1-methylcyclopentyl)methyl]-4-(propan-2-ylamino)butanamide (CID 63831409) is N-[(1-methylcyclopentyl)methyl]-4-(propan-2-ylamino)butanamide.
What is the SMILES notation for N-[(1-methylcyclopentyl)methyl]-4-(propan-2-ylamino)butanamide?
The canonical SMILES for N-[(1-methylcyclopentyl)methyl]-4-(propan-2-ylamino)butanamide is CC(C)NCCCC(=O)NCC1(C)CCCC1.
What is the InChIKey of N-[(1-methylcyclopentyl)methyl]-4-(propan-2-ylamino)butanamide?
The InChIKey is QDQWIINHWXAJFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O/c1-12(2)15-10-6-7-13(17)16-11-14(3)8-4-5-9-14/h12,15H,4-11H2,1-3H3,(H,16,17).
What are the key properties of N-[(1-methylcyclopentyl)methyl]-4-(propan-2-ylamino)butanamide?
N-[(1-methylcyclopentyl)methyl]-4-(propan-2-ylamino)butanamide has a molecular weight of 240.39 g/mol, XLogP of 2.46, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-methylcyclopentyl)methyl]-4-(propan-2-ylamino)butanamide is sourced from PubChem (CID 63831409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).