3-methylpentanimidamide;hydrochloride

C6H15ClN2 — CID 50999456

IUPAC3-methylpentanimidamide;hydrochloride
SMILESCl.[H]/N=C(\N)CC(C)CC
InChIInChI=1S/C6H14N2.ClH/c1-3-5(2)4-6(7)8;/h5H,3-4H2,1-2H3,(H3,7,8);1H
InChIKeyVUZKXFWGCCBVFU-UHFFFAOYSA-N
MW150.65 g/mol
LogP1.78
Rot. Bonds3

About 3-methylpentanimidamide;hydrochloride

3-methylpentanimidamide;hydrochloride (PubChem CID 50999456) has the molecular formula C6H15ClN2 and a molecular weight of 150.65 g/mol. Its IUPAC name is 3-methylpentanimidamide;hydrochloride.

Molecular Properties

Compound Name3-methylpentanimidamide;hydrochloride
PubChem CID50999456
Molecular FormulaC6H15ClN2
Molecular Weight150.65 g/mol
Exact Mass150.09
IUPAC Name3-methylpentanimidamide;hydrochloride
SMILESCl.[H]/N=C(\N)CC(C)CC
InChIInChI=1S/C6H14N2.ClH/c1-3-5(2)4-6(7)8;/h5H,3-4H2,1-2H3,(H3,7,8);1H
InChIKeyVUZKXFWGCCBVFU-UHFFFAOYSA-N
XLogP1.78
TPSA49.87 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.65
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

Cyclobutanecarboxamidine
CID 4057533
2-Methylbutanimidamide hydrochloride
CID 13548604
3-Methylbutanimidamide hydrochloride
CID 18967932
Cyclobutanecarboximidamide hydrochloride
CID 20542589
Cyclopentanecarboximidamide hydrochloride
CID 42614157
2-Methylcyclopropane-1-carboximidamide hydrochloride
CID 55289632
2-Cyclopropylethanimidamide hydrochloride
CID 57460333
2-Cyclobutylethanimidamide hydrochloride
CID 71758532
2-Methylpentanimidamide hydrochloride
CID 75481803
rac-(1R,2R)-2-methylcyclopropane-1-carboximidamide hydrochloride
CID 86641155
3-Methylbutanimidamide
CID 5067946
2-Methylbutanimidamide
CID 4099958

Frequently Asked Questions

What is the IUPAC name of 3-methylpentanimidamide;hydrochloride?
The IUPAC name of 3-methylpentanimidamide;hydrochloride (CID 50999456) is 3-methylpentanimidamide;hydrochloride.
What is the SMILES notation for 3-methylpentanimidamide;hydrochloride?
The canonical SMILES for 3-methylpentanimidamide;hydrochloride is Cl.[H]/N=C(\N)CC(C)CC.
What is the InChIKey of 3-methylpentanimidamide;hydrochloride?
The InChIKey is VUZKXFWGCCBVFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14N2.ClH/c1-3-5(2)4-6(7)8;/h5H,3-4H2,1-2H3,(H3,7,8);1H.
What are the key properties of 3-methylpentanimidamide;hydrochloride?
3-methylpentanimidamide;hydrochloride has a molecular weight of 150.65 g/mol, XLogP of 1.78, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylpentanimidamide;hydrochloride is sourced from PubChem (CID 50999456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).