N-butyl-4-methyl-1-[3-(2-methylpiperidin-1-yl)propyl]imidazol-2-amine

C17H32N4 — CID 106557473

IUPACN-butyl-4-methyl-1-[3-(2-methylpiperidin-1-yl)propyl]imidazol-2-amine
SMILESCCCCNc1nc(C)cn1CCCN1CCCCC1C
InChIInChI=1S/C17H32N4/c1-4-5-10-18-17-19-15(2)14-21(17)13-8-12-20-11-7-6-9-16(20)3/h14,16H,4-13H2,1-3H3,(H,18,19)
InChIKeySVXMQYRAOXLYEY-UHFFFAOYSA-N
MW292.47 g/mol
LogP3.67
Rot. Bonds8

About N-butyl-4-methyl-1-[3-(2-methylpiperidin-1-yl)propyl]imidazol-2-amine

N-butyl-4-methyl-1-[3-(2-methylpiperidin-1-yl)propyl]imidazol-2-amine (PubChem CID 106557473) has the molecular formula C17H32N4 and a molecular weight of 292.47 g/mol. Its IUPAC name is N-butyl-4-methyl-1-[3-(2-methylpiperidin-1-yl)propyl]imidazol-2-amine.

Molecular Properties

Compound NameN-butyl-4-methyl-1-[3-(2-methylpiperidin-1-yl)propyl]imidazol-2-amine
PubChem CID106557473
Molecular FormulaC17H32N4
Molecular Weight292.47 g/mol
Exact Mass292.26
IUPAC NameN-butyl-4-methyl-1-[3-(2-methylpiperidin-1-yl)propyl]imidazol-2-amine
SMILESCCCCNc1nc(C)cn1CCCN1CCCCC1C
InChIInChI=1S/C17H32N4/c1-4-5-10-18-17-19-15(2)14-21(17)13-8-12-20-11-7-6-9-16(20)3/h14,16H,4-13H2,1-3H3,(H,18,19)
InChIKeySVXMQYRAOXLYEY-UHFFFAOYSA-N
XLogP3.67
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.47
LogP ≤ 53.67
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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Related Compounds

1-(2-methoxyethyl)-4-methyl-N-[3-(2-methylpiperidin-1-yl)propyl]imidazol-2-amine
CID 106557477
N-butyl-4-methyl-1-[(4-methylcyclohexyl)methyl]imidazol-2-amine
CID 106571745
N-butyl-4-methyl-1-[(2,2,3,3-tetramethylcyclopropyl)methyl]imidazol-2-amine
CID 106576454
N-(3-methoxypropyl)-4-methyl-1-(3-pyrrolidin-1-ylpropyl)imidazol-2-amine
CID 106572086
N-(2-cyclobutylethyl)-4-methyl-1-propylimidazol-2-amine
CID 106580756
N-butyl-1-(2,2-dimethylpropyl)-4-methylimidazol-2-amine
CID 106563654
N-(2-methoxyethyl)-4-methyl-1-(3-pyrrolidin-1-ylpropyl)imidazol-2-amine
CID 106572059
6-N,2-dimethyl-4-N-[3-(2-methylpiperidin-1-yl)propyl]pyrimidine-4,6-diamine
CID 80785894
N-butyl-4-methyl-1-[(1-propan-2-ylpyrrolidin-3-yl)methyl]imidazol-2-amine
CID 106564255
2-methyl-1-pentylazepane
CID 134994557
1-butyl-4-methyl-N-(3,3,3-trifluoropropyl)imidazol-2-amine
CID 106571611
1-decyl-N-ethyl-4-methylimidazol-2-amine
CID 106578047

Frequently Asked Questions

What is the IUPAC name of N-butyl-4-methyl-1-[3-(2-methylpiperidin-1-yl)propyl]imidazol-2-amine?
The IUPAC name of N-butyl-4-methyl-1-[3-(2-methylpiperidin-1-yl)propyl]imidazol-2-amine (CID 106557473) is N-butyl-4-methyl-1-[3-(2-methylpiperidin-1-yl)propyl]imidazol-2-amine.
What is the SMILES notation for N-butyl-4-methyl-1-[3-(2-methylpiperidin-1-yl)propyl]imidazol-2-amine?
The canonical SMILES for N-butyl-4-methyl-1-[3-(2-methylpiperidin-1-yl)propyl]imidazol-2-amine is CCCCNc1nc(C)cn1CCCN1CCCCC1C.
What is the InChIKey of N-butyl-4-methyl-1-[3-(2-methylpiperidin-1-yl)propyl]imidazol-2-amine?
The InChIKey is SVXMQYRAOXLYEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32N4/c1-4-5-10-18-17-19-15(2)14-21(17)13-8-12-20-11-7-6-9-16(20)3/h14,16H,4-13H2,1-3H3,(H,18,19).
What are the key properties of N-butyl-4-methyl-1-[3-(2-methylpiperidin-1-yl)propyl]imidazol-2-amine?
N-butyl-4-methyl-1-[3-(2-methylpiperidin-1-yl)propyl]imidazol-2-amine has a molecular weight of 292.47 g/mol, XLogP of 3.67, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-4-methyl-1-[3-(2-methylpiperidin-1-yl)propyl]imidazol-2-amine is sourced from PubChem (CID 106557473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).