4-[(1-ethylcyclopentyl)methylamino]-N,N-dimethylbutanamide

C14H28N2O — CID 114125198

IUPAC4-[(1-ethylcyclopentyl)methylamino]-N,N-dimethylbutanamide
SMILESCCC1(CNCCCC(=O)N(C)C)CCCC1
InChIInChI=1S/C14H28N2O/c1-4-14(9-5-6-10-14)12-15-11-7-8-13(17)16(2)3/h15H,4-12H2,1-3H3
InChIKeyCQWDEMBFDZWOFW-UHFFFAOYSA-N
MW240.39 g/mol
LogP2.41
Rot. Bonds7

About 4-[(1-ethylcyclopentyl)methylamino]-N,N-dimethylbutanamide

4-[(1-ethylcyclopentyl)methylamino]-N,N-dimethylbutanamide (PubChem CID 114125198) has the molecular formula C14H28N2O and a molecular weight of 240.39 g/mol. Its IUPAC name is 4-[(1-ethylcyclopentyl)methylamino]-N,N-dimethylbutanamide.

Molecular Properties

Compound Name4-[(1-ethylcyclopentyl)methylamino]-N,N-dimethylbutanamide
PubChem CID114125198
Molecular FormulaC14H28N2O
Molecular Weight240.39 g/mol
Exact Mass240.22
IUPAC Name4-[(1-ethylcyclopentyl)methylamino]-N,N-dimethylbutanamide
SMILESCCC1(CNCCCC(=O)N(C)C)CCCC1
InChIInChI=1S/C14H28N2O/c1-4-14(9-5-6-10-14)12-15-11-7-8-13(17)16(2)3/h15H,4-12H2,1-3H3
InChIKeyCQWDEMBFDZWOFW-UHFFFAOYSA-N
XLogP2.41
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.39
LogP ≤ 52.41
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

4-[[1-(hydroxymethyl)cyclohexyl]methylamino]-N,N-dimethylbutanamide
CID 113359635
4-[[1-(dimethylamino)cyclobutyl]methylamino]-N,N-dimethylbutanamide
CID 105416919
4-(ethylamino)-N,N-dimethylbutanamide
CID 3024993
3-[(1-ethylcyclopentyl)methyl]-1,1-dimethylurea
CID 103764918
N-[(1-ethylcyclobutyl)methyl]-4-(methylamino)butanamide;hydrochloride
CID 119782138
4-[[1-(hydroxymethyl)cyclohexyl]amino]-N,N-dimethylbutanamide
CID 62522036
methyl 4-[[1-(dimethylamino)cyclopentyl]methylamino]butanoate
CID 83121631
N,N-dimethyl-4-(methylamino)butanamide;ethane
CID 163270647
2-[1-(butylaminomethyl)cyclopentyl]acetic acid
CID 23174791
1-butyl-3-[(1-ethylcyclobutyl)methyl]urea
CID 103740930
1,1-diethyl-3-[(1-ethylcyclobutyl)methyl]urea
CID 103741057
1-ethyl-3-[(1-ethylcyclopentyl)methyl]-1-methylurea
CID 103767932

Frequently Asked Questions

What is the IUPAC name of 4-[(1-ethylcyclopentyl)methylamino]-N,N-dimethylbutanamide?
The IUPAC name of 4-[(1-ethylcyclopentyl)methylamino]-N,N-dimethylbutanamide (CID 114125198) is 4-[(1-ethylcyclopentyl)methylamino]-N,N-dimethylbutanamide.
What is the SMILES notation for 4-[(1-ethylcyclopentyl)methylamino]-N,N-dimethylbutanamide?
The canonical SMILES for 4-[(1-ethylcyclopentyl)methylamino]-N,N-dimethylbutanamide is CCC1(CNCCCC(=O)N(C)C)CCCC1.
What is the InChIKey of 4-[(1-ethylcyclopentyl)methylamino]-N,N-dimethylbutanamide?
The InChIKey is CQWDEMBFDZWOFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O/c1-4-14(9-5-6-10-14)12-15-11-7-8-13(17)16(2)3/h15H,4-12H2,1-3H3.
What are the key properties of 4-[(1-ethylcyclopentyl)methylamino]-N,N-dimethylbutanamide?
4-[(1-ethylcyclopentyl)methylamino]-N,N-dimethylbutanamide has a molecular weight of 240.39 g/mol, XLogP of 2.41, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1-ethylcyclopentyl)methylamino]-N,N-dimethylbutanamide is sourced from PubChem (CID 114125198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).