N-[1-(3-methoxypropyl)imidazol-2-yl]-1-methylpiperidin-4-amine

C13H24N4O — CID 106561587

IUPACN-[1-(3-methoxypropyl)imidazol-2-yl]-1-methylpiperidin-4-amine
SMILESCOCCCn1ccnc1NC1CCN(C)CC1
InChIInChI=1S/C13H24N4O/c1-16-8-4-12(5-9-16)15-13-14-6-10-17(13)7-3-11-18-2/h6,10,12H,3-5,7-9,11H2,1-2H3,(H,14,15)
InChIKeyOBANLMBCNYYNPS-UHFFFAOYSA-N
MW252.36 g/mol
LogP1.43
Rot. Bonds6

About N-[1-(3-methoxypropyl)imidazol-2-yl]-1-methylpiperidin-4-amine

N-[1-(3-methoxypropyl)imidazol-2-yl]-1-methylpiperidin-4-amine (PubChem CID 106561587) has the molecular formula C13H24N4O and a molecular weight of 252.36 g/mol. Its IUPAC name is N-[1-(3-methoxypropyl)imidazol-2-yl]-1-methylpiperidin-4-amine.

Molecular Properties

Compound NameN-[1-(3-methoxypropyl)imidazol-2-yl]-1-methylpiperidin-4-amine
PubChem CID106561587
Molecular FormulaC13H24N4O
Molecular Weight252.36 g/mol
Exact Mass252.20
IUPAC NameN-[1-(3-methoxypropyl)imidazol-2-yl]-1-methylpiperidin-4-amine
SMILESCOCCCn1ccnc1NC1CCN(C)CC1
InChIInChI=1S/C13H24N4O/c1-16-8-4-12(5-9-16)15-13-14-6-10-17(13)7-3-11-18-2/h6,10,12H,3-5,7-9,11H2,1-2H3,(H,14,15)
InChIKeyOBANLMBCNYYNPS-UHFFFAOYSA-N
XLogP1.43
TPSA42.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 51.43
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-methoxypropyl)-N-(4-methylcyclohexyl)imidazol-2-amine
CID 106560148
N-(4-ethylcyclohexyl)-1-(3-methoxypropyl)imidazol-2-amine
CID 106564321
N-(3,4-dimethylcyclohexyl)-1-(3-methoxypropyl)imidazol-2-amine
CID 106574592
N-(3,5-dimethylcyclohexyl)-1-(3-methoxypropyl)imidazol-2-amine
CID 106575337
1-(3-methoxypropyl)-N-(2-methylcyclopropyl)imidazol-2-amine
CID 106571163
N-(2-methoxycyclopentyl)-1-(3-methoxypropyl)imidazol-2-amine
CID 106569905
N-cyclopropyl-1-pentylimidazol-2-amine
CID 106556933
1-(3-ethoxypropyl)-N-(4-propylcyclohexyl)imidazol-2-amine
CID 106566481
N-[(1,4-dimethylpiperazin-2-yl)methyl]-1-(3-methoxypropyl)imidazol-2-amine
CID 106574105
N-(3-ethylcyclohexyl)-1-(2-methoxyethyl)imidazol-2-amine
CID 106574931
1-(3-methoxypropyl)-N-propan-2-ylimidazol-2-amine
CID 106554826
N-cyclopropyl-1-(3-methylsulfinylpropyl)imidazol-2-amine
CID 106580550

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-methoxypropyl)imidazol-2-yl]-1-methylpiperidin-4-amine?
The IUPAC name of N-[1-(3-methoxypropyl)imidazol-2-yl]-1-methylpiperidin-4-amine (CID 106561587) is N-[1-(3-methoxypropyl)imidazol-2-yl]-1-methylpiperidin-4-amine.
What is the SMILES notation for N-[1-(3-methoxypropyl)imidazol-2-yl]-1-methylpiperidin-4-amine?
The canonical SMILES for N-[1-(3-methoxypropyl)imidazol-2-yl]-1-methylpiperidin-4-amine is COCCCn1ccnc1NC1CCN(C)CC1.
What is the InChIKey of N-[1-(3-methoxypropyl)imidazol-2-yl]-1-methylpiperidin-4-amine?
The InChIKey is OBANLMBCNYYNPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4O/c1-16-8-4-12(5-9-16)15-13-14-6-10-17(13)7-3-11-18-2/h6,10,12H,3-5,7-9,11H2,1-2H3,(H,14,15).
What are the key properties of N-[1-(3-methoxypropyl)imidazol-2-yl]-1-methylpiperidin-4-amine?
N-[1-(3-methoxypropyl)imidazol-2-yl]-1-methylpiperidin-4-amine has a molecular weight of 252.36 g/mol, XLogP of 1.43, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-methoxypropyl)imidazol-2-yl]-1-methylpiperidin-4-amine is sourced from PubChem (CID 106561587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).