N-butyl-1-[[1-(dimethylamino)cyclopentyl]methyl]-4-methylimidazol-2-amine

C16H30N4 — CID 106579428

IUPACN-butyl-1-[[1-(dimethylamino)cyclopentyl]methyl]-4-methylimidazol-2-amine
SMILESCCCCNc1nc(C)cn1CC1(N(C)C)CCCC1
InChIInChI=1S/C16H30N4/c1-5-6-11-17-15-18-14(2)12-20(15)13-16(19(3)4)9-7-8-10-16/h12H,5-11,13H2,1-4H3,(H,17,18)
InChIKeyMDTCZRWYNFWVJO-UHFFFAOYSA-N
MW278.44 g/mol
LogP3.28
Rot. Bonds7

About N-butyl-1-[[1-(dimethylamino)cyclopentyl]methyl]-4-methylimidazol-2-amine

N-butyl-1-[[1-(dimethylamino)cyclopentyl]methyl]-4-methylimidazol-2-amine (PubChem CID 106579428) has the molecular formula C16H30N4 and a molecular weight of 278.44 g/mol. Its IUPAC name is N-butyl-1-[[1-(dimethylamino)cyclopentyl]methyl]-4-methylimidazol-2-amine.

Molecular Properties

Compound NameN-butyl-1-[[1-(dimethylamino)cyclopentyl]methyl]-4-methylimidazol-2-amine
PubChem CID106579428
Molecular FormulaC16H30N4
Molecular Weight278.44 g/mol
Exact Mass278.25
IUPAC NameN-butyl-1-[[1-(dimethylamino)cyclopentyl]methyl]-4-methylimidazol-2-amine
SMILESCCCCNc1nc(C)cn1CC1(N(C)C)CCCC1
InChIInChI=1S/C16H30N4/c1-5-6-11-17-15-18-14(2)12-20(15)13-16(19(3)4)9-7-8-10-16/h12H,5-11,13H2,1-4H3,(H,17,18)
InChIKeyMDTCZRWYNFWVJO-UHFFFAOYSA-N
XLogP3.28
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.44
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-butyl-1-[[1-(dimethylamino)cyclopentyl]methyl]-4-methylimidazol-2-amine?
The IUPAC name of N-butyl-1-[[1-(dimethylamino)cyclopentyl]methyl]-4-methylimidazol-2-amine (CID 106579428) is N-butyl-1-[[1-(dimethylamino)cyclopentyl]methyl]-4-methylimidazol-2-amine.
What is the SMILES notation for N-butyl-1-[[1-(dimethylamino)cyclopentyl]methyl]-4-methylimidazol-2-amine?
The canonical SMILES for N-butyl-1-[[1-(dimethylamino)cyclopentyl]methyl]-4-methylimidazol-2-amine is CCCCNc1nc(C)cn1CC1(N(C)C)CCCC1.
What is the InChIKey of N-butyl-1-[[1-(dimethylamino)cyclopentyl]methyl]-4-methylimidazol-2-amine?
The InChIKey is MDTCZRWYNFWVJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N4/c1-5-6-11-17-15-18-14(2)12-20(15)13-16(19(3)4)9-7-8-10-16/h12H,5-11,13H2,1-4H3,(H,17,18).
What are the key properties of N-butyl-1-[[1-(dimethylamino)cyclopentyl]methyl]-4-methylimidazol-2-amine?
N-butyl-1-[[1-(dimethylamino)cyclopentyl]methyl]-4-methylimidazol-2-amine has a molecular weight of 278.44 g/mol, XLogP of 3.28, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-1-[[1-(dimethylamino)cyclopentyl]methyl]-4-methylimidazol-2-amine is sourced from PubChem (CID 106579428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).