1-bromopropane;N,N-dimethyl-N'-(1-propylimidazol-2-yl)methanimidamide;N'-(1H-imidazol-2-yl)-N,N-dimethylmethanimidamide;methane

C19H37BrN8 — CID 162193556

About 1-bromopropane;N,N-dimethyl-N'-(1-propylimidazol-2-yl)methanimidamide;N'-(1H-imidazol-2-yl)-N,N-dimethylmethanimidamide;methane

1-bromopropane;N,N-dimethyl-N'-(1-propylimidazol-2-yl)methanimidamide;N'-(1H-imidazol-2-yl)-N,N-dimethylmethanimidamide;methane (PubChem CID 162193556) has the molecular formula C19H37BrN8 and a molecular weight of 457.47 g/mol. Its IUPAC name is 1-bromopropane;N,N-dimethyl-N'-(1-propylimidazol-2-yl)methanimidamide;N'-(1H-imidazol-2-yl)-N,N-dimethylmethanimidamide;methane.

Molecular Properties

• Compound Name: 1-bromopropane;N,N-dimethyl-N'-(1-propylimidazol-2-yl)methanimidamide;N'-(1H-imidazol-2-yl)-N,N-dimethylmethanimidamide;methane
• PubChem CID: 162193556
• Molecular Formula: C19H37BrN8
• Molecular Weight: 457.47 g/mol
• Exact Mass: 456.23
• IUPAC Name: 1-bromopropane;N,N-dimethyl-N'-(1-propylimidazol-2-yl)methanimidamide;N'-(1H-imidazol-2-yl)-N,N-dimethylmethanimidamide;methane
• SMILES: C.CCCBr.CCCn1ccnc1N=CN(C)C.CN(C)C=Nc1ncc[nH]1
• InChI: InChI=1S/C9H16N4.C6H10N4.C3H7Br.CH4/c1-4-6-13-7-5-10-9(13)11-8-12(2)3;1-10(2)5-9-6-7-3-4-8-6;1-2-3-4;/h5,7-8H,4,6H2,1-3H3;3-5H,1-2H3,(H,7,8);2-3H2,1H3;1H4
• InChIKey: ZQQIIPSISFDMQI-UHFFFAOYSA-N
• XLogP: 4.57
• TPSA: 77.70 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	457.47
LogP ≤ 5	4.57
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-bromopropane;N,N-dimethyl-N'-(1-propylimidazol-2-yl)methanimidamide;N'-(1H-imidazol-2-yl)-N,N-dimethylmethanimidamide;methane?

The IUPAC name of 1-bromopropane;N,N-dimethyl-N'-(1-propylimidazol-2-yl)methanimidamide;N'-(1H-imidazol-2-yl)-N,N-dimethylmethanimidamide;methane (CID 162193556) is 1-bromopropane;N,N-dimethyl-N'-(1-propylimidazol-2-yl)methanimidamide;N'-(1H-imidazol-2-yl)-N,N-dimethylmethanimidamide;methane.

What is the SMILES notation for 1-bromopropane;N,N-dimethyl-N'-(1-propylimidazol-2-yl)methanimidamide;N'-(1H-imidazol-2-yl)-N,N-dimethylmethanimidamide;methane?

The canonical SMILES for 1-bromopropane;N,N-dimethyl-N'-(1-propylimidazol-2-yl)methanimidamide;N'-(1H-imidazol-2-yl)-N,N-dimethylmethanimidamide;methane is C.CCCBr.CCCn1ccnc1N=CN(C)C.CN(C)C=Nc1ncc[nH]1.

What is the InChIKey of 1-bromopropane;N,N-dimethyl-N'-(1-propylimidazol-2-yl)methanimidamide;N'-(1H-imidazol-2-yl)-N,N-dimethylmethanimidamide;methane?

The InChIKey is ZQQIIPSISFDMQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4.C6H10N4.C3H7Br.CH4/c1-4-6-13-7-5-10-9(13)11-8-12(2)3;1-10(2)5-9-6-7-3-4-8-6;1-2-3-4;/h5,7-8H,4,6H2,1-3H3;3-5H,1-2H3,(H,7,8);2-3H2,1H3;1H4.

What are the key properties of 1-bromopropane;N,N-dimethyl-N'-(1-propylimidazol-2-yl)methanimidamide;N'-(1H-imidazol-2-yl)-N,N-dimethylmethanimidamide;methane?

1-bromopropane;N,N-dimethyl-N'-(1-propylimidazol-2-yl)methanimidamide;N'-(1H-imidazol-2-yl)-N,N-dimethylmethanimidamide;methane has a molecular weight of 457.47 g/mol, XLogP of 4.57, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 1-bromopropane;N,N-dimethyl-N'-(1-propylimidazol-2-yl)methanimidamide;N'-(1H-imidazol-2-yl)-N,N-dimethylmethanimidamide;methane is sourced from PubChem (CID 162193556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).