N-[[3-(3-methoxypropyl)imidazol-4-yl]methyl]propan-2-amine

C11H21N3O — CID 66146724

IUPACN-[[3-(3-methoxypropyl)imidazol-4-yl]methyl]propan-2-amine
SMILESCOCCCn1cncc1CNC(C)C
InChIInChI=1S/C11H21N3O/c1-10(2)13-8-11-7-12-9-14(11)5-4-6-15-3/h7,9-10,13H,4-6,8H2,1-3H3
InChIKeyCXPHTSQLNJUGJW-UHFFFAOYSA-N
MW211.31 g/mol
LogP1.42
Rot. Bonds7

About N-[[3-(3-methoxypropyl)imidazol-4-yl]methyl]propan-2-amine

N-[[3-(3-methoxypropyl)imidazol-4-yl]methyl]propan-2-amine (PubChem CID 66146724) has the molecular formula C11H21N3O and a molecular weight of 211.31 g/mol. Its IUPAC name is N-[[3-(3-methoxypropyl)imidazol-4-yl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[3-(3-methoxypropyl)imidazol-4-yl]methyl]propan-2-amine
PubChem CID66146724
Molecular FormulaC11H21N3O
Molecular Weight211.31 g/mol
Exact Mass211.17
IUPAC NameN-[[3-(3-methoxypropyl)imidazol-4-yl]methyl]propan-2-amine
SMILESCOCCCn1cncc1CNC(C)C
InChIInChI=1S/C11H21N3O/c1-10(2)13-8-11-7-12-9-14(11)5-4-6-15-3/h7,9-10,13H,4-6,8H2,1-3H3
InChIKeyCXPHTSQLNJUGJW-UHFFFAOYSA-N
XLogP1.42
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.31
LogP ≤ 51.42
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

4-[5-[(propan-2-ylamino)methyl]imidazol-1-yl]butanamide
CID 66146111
N-[[3-(3-methoxypropyl)imidazol-4-yl]methyl]cyclopropanamine
CID 66146516
N-[(3-ethylimidazol-4-yl)methyl]propan-2-amine
CID 66118230
5-(chloromethyl)-1-(3-methoxypropyl)imidazole;hydrochloride
CID 18670849
N-[[3-[2-(2,2,2-trifluoroethoxy)ethyl]imidazol-4-yl]methyl]propan-2-amine
CID 66151819
N-[[3-(2-piperidin-1-ylethyl)imidazol-4-yl]methyl]propan-2-amine
CID 66152169
N-[[3-[3-(3,5-dimethylpyrazol-1-yl)propyl]imidazol-4-yl]methyl]propan-2-amine
CID 114541560
N-[[3-(2-cyclohexyloxyethyl)imidazol-4-yl]methyl]propan-2-amine
CID 66151207
N-[[3-[3-(2-methoxyethoxy)propyl]imidazol-4-yl]methyl]cyclopropanamine
CID 114097853
N-[[3-[2-(1-methylpyrazol-3-yl)ethyl]imidazol-4-yl]methyl]propan-2-amine
CID 106106680
N-[[3-[2-(1-methylpyrazol-4-yl)ethyl]imidazol-4-yl]methyl]propan-2-amine
CID 80686896
2-methoxy-N-[[3-(2-propan-2-yloxyethyl)imidazol-4-yl]methyl]ethanamine
CID 113450980

Frequently Asked Questions

What is the IUPAC name of N-[[3-(3-methoxypropyl)imidazol-4-yl]methyl]propan-2-amine?
The IUPAC name of N-[[3-(3-methoxypropyl)imidazol-4-yl]methyl]propan-2-amine (CID 66146724) is N-[[3-(3-methoxypropyl)imidazol-4-yl]methyl]propan-2-amine.
What is the SMILES notation for N-[[3-(3-methoxypropyl)imidazol-4-yl]methyl]propan-2-amine?
The canonical SMILES for N-[[3-(3-methoxypropyl)imidazol-4-yl]methyl]propan-2-amine is COCCCn1cncc1CNC(C)C.
What is the InChIKey of N-[[3-(3-methoxypropyl)imidazol-4-yl]methyl]propan-2-amine?
The InChIKey is CXPHTSQLNJUGJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O/c1-10(2)13-8-11-7-12-9-14(11)5-4-6-15-3/h7,9-10,13H,4-6,8H2,1-3H3.
What are the key properties of N-[[3-(3-methoxypropyl)imidazol-4-yl]methyl]propan-2-amine?
N-[[3-(3-methoxypropyl)imidazol-4-yl]methyl]propan-2-amine has a molecular weight of 211.31 g/mol, XLogP of 1.42, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(3-methoxypropyl)imidazol-4-yl]methyl]propan-2-amine is sourced from PubChem (CID 66146724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).