3-(1H-imidazol-5-yl)-N-methylpropan-1-amine

C7H13N3 — CID 19776442

IUPAC3-(1H-imidazol-5-yl)-N-methylpropan-1-amine
SMILESCNCCCc1cnc[nH]1
InChIInChI=1S/C7H13N3/c1-8-4-2-3-7-5-9-6-10-7/h5-6,8H,2-4H2,1H3,(H,9,10)
InChIKeyCSTHXRHSHNAHRN-UHFFFAOYSA-N
MW139.20 g/mol
LogP0.56
Rot. Bonds4

About 3-(1H-imidazol-5-yl)-N-methylpropan-1-amine

3-(1H-imidazol-5-yl)-N-methylpropan-1-amine (PubChem CID 19776442) has the molecular formula C7H13N3 and a molecular weight of 139.20 g/mol. Its IUPAC name is 3-(1H-imidazol-5-yl)-N-methylpropan-1-amine.

Molecular Properties

Compound Name3-(1H-imidazol-5-yl)-N-methylpropan-1-amine
PubChem CID19776442
Molecular FormulaC7H13N3
Molecular Weight139.20 g/mol
Exact Mass139.11
IUPAC Name3-(1H-imidazol-5-yl)-N-methylpropan-1-amine
SMILESCNCCCc1cnc[nH]1
InChIInChI=1S/C7H13N3/c1-8-4-2-3-7-5-9-6-10-7/h5-6,8H,2-4H2,1H3,(H,9,10)
InChIKeyCSTHXRHSHNAHRN-UHFFFAOYSA-N
XLogP0.56
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.20
LogP ≤ 50.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N'-[2-(1H-imidazol-5-yl)ethyl]-N-methylethane-1,2-diamine
CID 102056012
1-(1H-imidazol-5-yl)-N-methylmethanamine
CID 20675588
5-hexyl-1H-imidazole
CID 14225142
1-[3-(1H-imidazol-5-yl)propyl]-2-methylguanidine
CID 13499387
1-[3-(1H-imidazol-5-yl)propyl]-3-propylthiourea
CID 10398801
3-(1H-imidazol-5-yl)-N-methylpropane-1-sulfonamide
CID 18682699
4-ethyl-N-[3-(1H-imidazol-5-yl)propyl]aniline
CID 21193542
N-(1H-imidazol-5-ylmethyl)-3-(methylamino)propane-1-sulfonamide
CID 106069679
4-(1H-imidazol-5-yl)butan-1-amine
CID 13499360
5-(1H-imidazol-5-yl)-N-(2-methylpropyl)pentan-1-amine
CID 11499453
3-[4-(1H-imidazol-5-yl)phenyl]-N-methylpropan-1-amine
CID 115029297
1,2-bis[3-(1H-imidazol-5-yl)propyl]guanidine
CID 13499378

Frequently Asked Questions

What is the IUPAC name of 3-(1H-imidazol-5-yl)-N-methylpropan-1-amine?
The IUPAC name of 3-(1H-imidazol-5-yl)-N-methylpropan-1-amine (CID 19776442) is 3-(1H-imidazol-5-yl)-N-methylpropan-1-amine.
What is the SMILES notation for 3-(1H-imidazol-5-yl)-N-methylpropan-1-amine?
The canonical SMILES for 3-(1H-imidazol-5-yl)-N-methylpropan-1-amine is CNCCCc1cnc[nH]1.
What is the InChIKey of 3-(1H-imidazol-5-yl)-N-methylpropan-1-amine?
The InChIKey is CSTHXRHSHNAHRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N3/c1-8-4-2-3-7-5-9-6-10-7/h5-6,8H,2-4H2,1H3,(H,9,10).
What are the key properties of 3-(1H-imidazol-5-yl)-N-methylpropan-1-amine?
3-(1H-imidazol-5-yl)-N-methylpropan-1-amine has a molecular weight of 139.20 g/mol, XLogP of 0.56, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1H-imidazol-5-yl)-N-methylpropan-1-amine is sourced from PubChem (CID 19776442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).