3-(cyclopropylmethoxy)-N-[(3-methylimidazol-4-yl)methyl]propan-1-amine

C12H21N3O — CID 62999758

IUPAC3-(cyclopropylmethoxy)-N-[(3-methylimidazol-4-yl)methyl]propan-1-amine
SMILESCn1cncc1CNCCCOCC1CC1
InChIInChI=1S/C12H21N3O/c1-15-10-14-8-12(15)7-13-5-2-6-16-9-11-3-4-11/h8,10-11,13H,2-7,9H2,1H3
InChIKeyPLFWYDQIEAHKPB-UHFFFAOYSA-N
MW223.32 g/mol
LogP1.33
Rot. Bonds8

About 3-(cyclopropylmethoxy)-N-[(3-methylimidazol-4-yl)methyl]propan-1-amine

3-(cyclopropylmethoxy)-N-[(3-methylimidazol-4-yl)methyl]propan-1-amine (PubChem CID 62999758) has the molecular formula C12H21N3O and a molecular weight of 223.32 g/mol. Its IUPAC name is 3-(cyclopropylmethoxy)-N-[(3-methylimidazol-4-yl)methyl]propan-1-amine.

Molecular Properties

Compound Name3-(cyclopropylmethoxy)-N-[(3-methylimidazol-4-yl)methyl]propan-1-amine
PubChem CID62999758
Molecular FormulaC12H21N3O
Molecular Weight223.32 g/mol
Exact Mass223.17
IUPAC Name3-(cyclopropylmethoxy)-N-[(3-methylimidazol-4-yl)methyl]propan-1-amine
SMILESCn1cncc1CNCCCOCC1CC1
InChIInChI=1S/C12H21N3O/c1-15-10-14-8-12(15)7-13-5-2-6-16-9-11-3-4-11/h8,10-11,13H,2-7,9H2,1H3
InChIKeyPLFWYDQIEAHKPB-UHFFFAOYSA-N
XLogP1.33
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 51.33
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 3-(cyclopropylmethoxy)-N-[(3-methylimidazol-4-yl)methyl]propan-1-amine?
The IUPAC name of 3-(cyclopropylmethoxy)-N-[(3-methylimidazol-4-yl)methyl]propan-1-amine (CID 62999758) is 3-(cyclopropylmethoxy)-N-[(3-methylimidazol-4-yl)methyl]propan-1-amine.
What is the SMILES notation for 3-(cyclopropylmethoxy)-N-[(3-methylimidazol-4-yl)methyl]propan-1-amine?
The canonical SMILES for 3-(cyclopropylmethoxy)-N-[(3-methylimidazol-4-yl)methyl]propan-1-amine is Cn1cncc1CNCCCOCC1CC1.
What is the InChIKey of 3-(cyclopropylmethoxy)-N-[(3-methylimidazol-4-yl)methyl]propan-1-amine?
The InChIKey is PLFWYDQIEAHKPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O/c1-15-10-14-8-12(15)7-13-5-2-6-16-9-11-3-4-11/h8,10-11,13H,2-7,9H2,1H3.
What are the key properties of 3-(cyclopropylmethoxy)-N-[(3-methylimidazol-4-yl)methyl]propan-1-amine?
3-(cyclopropylmethoxy)-N-[(3-methylimidazol-4-yl)methyl]propan-1-amine has a molecular weight of 223.32 g/mol, XLogP of 1.33, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclopropylmethoxy)-N-[(3-methylimidazol-4-yl)methyl]propan-1-amine is sourced from PubChem (CID 62999758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).