N-[[3-(3-methoxypropyl)imidazol-4-yl]methyl]cyclopropanamine

C11H19N3O — CID 66146516

IUPACN-[[3-(3-methoxypropyl)imidazol-4-yl]methyl]cyclopropanamine
SMILESCOCCCn1cncc1CNC1CC1
InChIInChI=1S/C11H19N3O/c1-15-6-2-5-14-9-12-7-11(14)8-13-10-3-4-10/h7,9-10,13H,2-6,8H2,1H3
InChIKeyHAJBAWOCDPIPKW-UHFFFAOYSA-N
MW209.29 g/mol
LogP1.17
Rot. Bonds7

About N-[[3-(3-methoxypropyl)imidazol-4-yl]methyl]cyclopropanamine

N-[[3-(3-methoxypropyl)imidazol-4-yl]methyl]cyclopropanamine (PubChem CID 66146516) has the molecular formula C11H19N3O and a molecular weight of 209.29 g/mol. Its IUPAC name is N-[[3-(3-methoxypropyl)imidazol-4-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[3-(3-methoxypropyl)imidazol-4-yl]methyl]cyclopropanamine
PubChem CID66146516
Molecular FormulaC11H19N3O
Molecular Weight209.29 g/mol
Exact Mass209.15
IUPAC NameN-[[3-(3-methoxypropyl)imidazol-4-yl]methyl]cyclopropanamine
SMILESCOCCCn1cncc1CNC1CC1
InChIInChI=1S/C11H19N3O/c1-15-6-2-5-14-9-12-7-11(14)8-13-10-3-4-10/h7,9-10,13H,2-6,8H2,1H3
InChIKeyHAJBAWOCDPIPKW-UHFFFAOYSA-N
XLogP1.17
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 51.17
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

N-[[3-[3-(2-methoxyethoxy)propyl]imidazol-4-yl]methyl]cyclopropanamine
CID 114097853
N-[[3-[3-(diethylamino)propyl]imidazol-4-yl]methyl]cyclopropanamine
CID 66146507
N-[[3-(3-methoxypropyl)imidazol-4-yl]methyl]propan-2-amine
CID 66146724
N-[[3-(3,3,3-trifluoropropyl)imidazol-4-yl]methyl]cyclopropanamine
CID 66151603
4-propyl-N-[(3-propylimidazol-4-yl)methyl]cyclohexan-1-amine
CID 66129378
N-[[3-(3-methoxypropyl)-2-methylimidazol-4-yl]methyl]cyclopropanamine
CID 65172064
N-cyclopropyl-4-[5-[(2-methoxyethylamino)methyl]imidazol-1-yl]butanamide
CID 79400872
5-(chloromethyl)-1-(3-methoxypropyl)imidazole;hydrochloride
CID 18670849
N-[[3-[2-(3-methylphenoxy)ethyl]imidazol-4-yl]methyl]cyclopropanamine
CID 66151762
1-propyl-N-[(3-propylimidazol-4-yl)methyl]piperidin-4-amine
CID 66134778
N-[[3-[(1-methylpiperidin-4-yl)methyl]imidazol-4-yl]methyl]cyclopropanamine
CID 66150734
N-[[3-(cyclobutylmethyl)imidazol-4-yl]methyl]cyclopropanamine
CID 66148807

Frequently Asked Questions

What is the IUPAC name of N-[[3-(3-methoxypropyl)imidazol-4-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[3-(3-methoxypropyl)imidazol-4-yl]methyl]cyclopropanamine (CID 66146516) is N-[[3-(3-methoxypropyl)imidazol-4-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[3-(3-methoxypropyl)imidazol-4-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[3-(3-methoxypropyl)imidazol-4-yl]methyl]cyclopropanamine is COCCCn1cncc1CNC1CC1.
What is the InChIKey of N-[[3-(3-methoxypropyl)imidazol-4-yl]methyl]cyclopropanamine?
The InChIKey is HAJBAWOCDPIPKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O/c1-15-6-2-5-14-9-12-7-11(14)8-13-10-3-4-10/h7,9-10,13H,2-6,8H2,1H3.
What are the key properties of N-[[3-(3-methoxypropyl)imidazol-4-yl]methyl]cyclopropanamine?
N-[[3-(3-methoxypropyl)imidazol-4-yl]methyl]cyclopropanamine has a molecular weight of 209.29 g/mol, XLogP of 1.17, 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]cyclopropanamine is sourced from PubChem (CID 66146516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).