N-[1-(3-ethoxypropyl)-4-methylimidazol-2-yl]-1,3-dimethylpiperidin-4-amine

C16H30N4O — CID 106582802

IUPACN-[1-(3-ethoxypropyl)-4-methylimidazol-2-yl]-1,3-dimethylpiperidin-4-amine
SMILESCCOCCCn1cc(C)nc1NC1CCN(C)CC1C
InChIInChI=1S/C16H30N4O/c1-5-21-10-6-8-20-12-14(3)17-16(20)18-15-7-9-19(4)11-13(15)2/h12-13,15H,5-11H2,1-4H3,(H,17,18)
InChIKeyPTRJBGYMUHAQQH-UHFFFAOYSA-N
MW294.44 g/mol
LogP2.37
Rot. Bonds7

About N-[1-(3-ethoxypropyl)-4-methylimidazol-2-yl]-1,3-dimethylpiperidin-4-amine

N-[1-(3-ethoxypropyl)-4-methylimidazol-2-yl]-1,3-dimethylpiperidin-4-amine (PubChem CID 106582802) has the molecular formula C16H30N4O and a molecular weight of 294.44 g/mol. Its IUPAC name is N-[1-(3-ethoxypropyl)-4-methylimidazol-2-yl]-1,3-dimethylpiperidin-4-amine.

Molecular Properties

Compound NameN-[1-(3-ethoxypropyl)-4-methylimidazol-2-yl]-1,3-dimethylpiperidin-4-amine
PubChem CID106582802
Molecular FormulaC16H30N4O
Molecular Weight294.44 g/mol
Exact Mass294.24
IUPAC NameN-[1-(3-ethoxypropyl)-4-methylimidazol-2-yl]-1,3-dimethylpiperidin-4-amine
SMILESCCOCCCn1cc(C)nc1NC1CCN(C)CC1C
InChIInChI=1S/C16H30N4O/c1-5-21-10-6-8-20-12-14(3)17-16(20)18-15-7-9-19(4)11-13(15)2/h12-13,15H,5-11H2,1-4H3,(H,17,18)
InChIKeyPTRJBGYMUHAQQH-UHFFFAOYSA-N
XLogP2.37
TPSA42.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.44
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-(3-ethoxypropyl)-4-methyl-N-[(4-methylmorpholin-2-yl)methyl]imidazol-2-amine
CID 106576043
1-butyl-4-methyl-N-(1-methylpyrrolidin-3-yl)imidazol-2-amine
CID 106566532
1-(3-cyclopropylpropyl)-N-(3-ethoxypropyl)-4-methylimidazol-2-amine
CID 106582520
N-[[1-(dimethylamino)cyclobutyl]methyl]-1-(3-ethoxypropyl)-4-methylimidazol-2-amine
CID 106583088
1-(3-methoxypropyl)-4-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]imidazol-2-amine
CID 106563052
N-(1-cyclohexylethyl)-1-(3-ethoxypropyl)-4-methylimidazol-2-amine
CID 106571255
1-(3-ethoxypropyl)-4-methyl-N-[(1-methylpiperidin-2-yl)methyl]imidazol-2-amine
CID 106565251
N-(2-ethoxypropyl)-1-(3-ethoxypropyl)-4-methylimidazol-2-amine
CID 106581223
N-(3-ethoxypropyl)-4-methyl-1-[(1-methylpiperidin-3-yl)methyl]imidazol-2-amine
CID 106565099
N-cyclopropyl-1-(3-methoxypropyl)-4-methylimidazol-2-amine
CID 106554952
N-(1-butyl-4-methylimidazol-2-yl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine
CID 106566147
1-[1-(3-ethoxypropyl)-4-methylimidazol-2-yl]-4-methylpiperidin-3-amine
CID 106552827

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-ethoxypropyl)-4-methylimidazol-2-yl]-1,3-dimethylpiperidin-4-amine?
The IUPAC name of N-[1-(3-ethoxypropyl)-4-methylimidazol-2-yl]-1,3-dimethylpiperidin-4-amine (CID 106582802) is N-[1-(3-ethoxypropyl)-4-methylimidazol-2-yl]-1,3-dimethylpiperidin-4-amine.
What is the SMILES notation for N-[1-(3-ethoxypropyl)-4-methylimidazol-2-yl]-1,3-dimethylpiperidin-4-amine?
The canonical SMILES for N-[1-(3-ethoxypropyl)-4-methylimidazol-2-yl]-1,3-dimethylpiperidin-4-amine is CCOCCCn1cc(C)nc1NC1CCN(C)CC1C.
What is the InChIKey of N-[1-(3-ethoxypropyl)-4-methylimidazol-2-yl]-1,3-dimethylpiperidin-4-amine?
The InChIKey is PTRJBGYMUHAQQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N4O/c1-5-21-10-6-8-20-12-14(3)17-16(20)18-15-7-9-19(4)11-13(15)2/h12-13,15H,5-11H2,1-4H3,(H,17,18).
What are the key properties of N-[1-(3-ethoxypropyl)-4-methylimidazol-2-yl]-1,3-dimethylpiperidin-4-amine?
N-[1-(3-ethoxypropyl)-4-methylimidazol-2-yl]-1,3-dimethylpiperidin-4-amine has a molecular weight of 294.44 g/mol, XLogP of 2.37, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-ethoxypropyl)-4-methylimidazol-2-yl]-1,3-dimethylpiperidin-4-amine is sourced from PubChem (CID 106582802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).