N,N-dimethyl-1-[(3-methylbutylamino)methyl]cyclopentane-1-carboxamide

C14H28N2O — CID 99831545

IUPACN,N-dimethyl-1-[(3-methylbutylamino)methyl]cyclopentane-1-carboxamide
SMILESCC(C)CCNCC1(C(=O)N(C)C)CCCC1
InChIInChI=1S/C14H28N2O/c1-12(2)7-10-15-11-14(8-5-6-9-14)13(17)16(3)4/h12,15H,5-11H2,1-4H3
InChIKeyOWNQXEKTNRTXCO-UHFFFAOYSA-N
MW240.39 g/mol
LogP2.27
Rot. Bonds6

About N,N-dimethyl-1-[(3-methylbutylamino)methyl]cyclopentane-1-carboxamide

N,N-dimethyl-1-[(3-methylbutylamino)methyl]cyclopentane-1-carboxamide (PubChem CID 99831545) has the molecular formula C14H28N2O and a molecular weight of 240.39 g/mol. Its IUPAC name is N,N-dimethyl-1-[(3-methylbutylamino)methyl]cyclopentane-1-carboxamide.

Molecular Properties

Compound NameN,N-dimethyl-1-[(3-methylbutylamino)methyl]cyclopentane-1-carboxamide
PubChem CID99831545
Molecular FormulaC14H28N2O
Molecular Weight240.39 g/mol
Exact Mass240.22
IUPAC NameN,N-dimethyl-1-[(3-methylbutylamino)methyl]cyclopentane-1-carboxamide
SMILESCC(C)CCNCC1(C(=O)N(C)C)CCCC1
InChIInChI=1S/C14H28N2O/c1-12(2)7-10-15-11-14(8-5-6-9-14)13(17)16(3)4/h12,15H,5-11H2,1-4H3
InChIKeyOWNQXEKTNRTXCO-UHFFFAOYSA-N
XLogP2.27
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.39
LogP ≤ 52.27
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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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-1-[(3-methylbutylamino)methyl]cyclopentane-1-carboxamide?
The IUPAC name of N,N-dimethyl-1-[(3-methylbutylamino)methyl]cyclopentane-1-carboxamide (CID 99831545) is N,N-dimethyl-1-[(3-methylbutylamino)methyl]cyclopentane-1-carboxamide.
What is the SMILES notation for N,N-dimethyl-1-[(3-methylbutylamino)methyl]cyclopentane-1-carboxamide?
The canonical SMILES for N,N-dimethyl-1-[(3-methylbutylamino)methyl]cyclopentane-1-carboxamide is CC(C)CCNCC1(C(=O)N(C)C)CCCC1.
What is the InChIKey of N,N-dimethyl-1-[(3-methylbutylamino)methyl]cyclopentane-1-carboxamide?
The InChIKey is OWNQXEKTNRTXCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O/c1-12(2)7-10-15-11-14(8-5-6-9-14)13(17)16(3)4/h12,15H,5-11H2,1-4H3.
What are the key properties of N,N-dimethyl-1-[(3-methylbutylamino)methyl]cyclopentane-1-carboxamide?
N,N-dimethyl-1-[(3-methylbutylamino)methyl]cyclopentane-1-carboxamide has a molecular weight of 240.39 g/mol, XLogP of 2.27, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-1-[(3-methylbutylamino)methyl]cyclopentane-1-carboxamide is sourced from PubChem (CID 99831545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).