N,N-dimethyl-4-[(3-methylcyclopentyl)methylamino]butanamide

C13H26N2O — CID 107412884

IUPACN,N-dimethyl-4-[(3-methylcyclopentyl)methylamino]butanamide
SMILESCC1CCC(CNCCCC(=O)N(C)C)C1
InChIInChI=1S/C13H26N2O/c1-11-6-7-12(9-11)10-14-8-4-5-13(16)15(2)3/h11-12,14H,4-10H2,1-3H3
InChIKeyYXIKEVHCAVFFLL-UHFFFAOYSA-N
MW226.36 g/mol
LogP1.88
Rot. Bonds6

About N,N-dimethyl-4-[(3-methylcyclopentyl)methylamino]butanamide

N,N-dimethyl-4-[(3-methylcyclopentyl)methylamino]butanamide (PubChem CID 107412884) has the molecular formula C13H26N2O and a molecular weight of 226.36 g/mol. Its IUPAC name is N,N-dimethyl-4-[(3-methylcyclopentyl)methylamino]butanamide.

Molecular Properties

Compound NameN,N-dimethyl-4-[(3-methylcyclopentyl)methylamino]butanamide
PubChem CID107412884
Molecular FormulaC13H26N2O
Molecular Weight226.36 g/mol
Exact Mass226.20
IUPAC NameN,N-dimethyl-4-[(3-methylcyclopentyl)methylamino]butanamide
SMILESCC1CCC(CNCCCC(=O)N(C)C)C1
InChIInChI=1S/C13H26N2O/c1-11-6-7-12(9-11)10-14-8-4-5-13(16)15(2)3/h11-12,14H,4-10H2,1-3H3
InChIKeyYXIKEVHCAVFFLL-UHFFFAOYSA-N
XLogP1.88
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.36
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N,N-dimethyl-4-[(3-methylcyclohexyl)methylamino]butanamide
CID 103883917
4-[(4-hydroxycyclohexyl)methylamino]-N,N-dimethylbutanamide
CID 106133750
3-[(3-methylcyclopentyl)methylamino]propanamide
CID 107412716
N-cyclopropyl-3-[(3-methylcyclopentyl)methylamino]propanamide
CID 107412683
6-[(3-methylcyclopentyl)methylamino]hexan-1-ol
CID 107703705
N,N-dimethyl-4-(thian-2-ylmethylamino)butanamide
CID 80599931
2-fluoro-N-[(3-methylcyclopentyl)methyl]ethanamine
CID 107412907
4-(ethylamino)-N,N-dimethylbutanamide
CID 3024993
2-[(3-methylcyclopentyl)methylamino]acetic acid
CID 107412592
N,N-dimethyl-2-[4-[(3-methylcyclopentyl)methylamino]piperidin-1-yl]acetamide
CID 107411593
N-butyl-2-[(3-methylcyclopentyl)methylamino]acetamide
CID 107412540
4-(cyclobutylamino)-N,N-dimethylbutanamide
CID 62415155

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-4-[(3-methylcyclopentyl)methylamino]butanamide?
The IUPAC name of N,N-dimethyl-4-[(3-methylcyclopentyl)methylamino]butanamide (CID 107412884) is N,N-dimethyl-4-[(3-methylcyclopentyl)methylamino]butanamide.
What is the SMILES notation for N,N-dimethyl-4-[(3-methylcyclopentyl)methylamino]butanamide?
The canonical SMILES for N,N-dimethyl-4-[(3-methylcyclopentyl)methylamino]butanamide is CC1CCC(CNCCCC(=O)N(C)C)C1.
What is the InChIKey of N,N-dimethyl-4-[(3-methylcyclopentyl)methylamino]butanamide?
The InChIKey is YXIKEVHCAVFFLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O/c1-11-6-7-12(9-11)10-14-8-4-5-13(16)15(2)3/h11-12,14H,4-10H2,1-3H3.
What are the key properties of N,N-dimethyl-4-[(3-methylcyclopentyl)methylamino]butanamide?
N,N-dimethyl-4-[(3-methylcyclopentyl)methylamino]butanamide has a molecular weight of 226.36 g/mol, XLogP of 1.88, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-4-[(3-methylcyclopentyl)methylamino]butanamide is sourced from PubChem (CID 107412884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).