N,N-dimethylformamide;3-methylbutane-1,3-diamine;hydrochloride

C8H22ClN3O — CID 174891274

IUPACN,N-dimethylformamide;3-methylbutane-1,3-diamine;hydrochloride
SMILESCC(C)(N)CCN.CN(C)C=O.Cl
InChIInChI=1S/C5H14N2.C3H7NO.ClH/c1-5(2,7)3-4-6;1-4(2)3-5;/h3-4,6-7H2,1-2H3;3H,1-2H3;1H
InChIKeyVVHASSNCDFYVCJ-UHFFFAOYSA-N
MW211.74 g/mol
LogP0.20
Rot. Bonds3

About N,N-dimethylformamide;3-methylbutane-1,3-diamine;hydrochloride

N,N-dimethylformamide;3-methylbutane-1,3-diamine;hydrochloride (PubChem CID 174891274) has the molecular formula C8H22ClN3O and a molecular weight of 211.74 g/mol. Its IUPAC name is N,N-dimethylformamide;3-methylbutane-1,3-diamine;hydrochloride.

Molecular Properties

Compound NameN,N-dimethylformamide;3-methylbutane-1,3-diamine;hydrochloride
PubChem CID174891274
Molecular FormulaC8H22ClN3O
Molecular Weight211.74 g/mol
Exact Mass211.15
IUPAC NameN,N-dimethylformamide;3-methylbutane-1,3-diamine;hydrochloride
SMILESCC(C)(N)CCN.CN(C)C=O.Cl
InChIInChI=1S/C5H14N2.C3H7NO.ClH/c1-5(2,7)3-4-6;1-4(2)3-5;/h3-4,6-7H2,1-2H3;3H,1-2H3;1H
InChIKeyVVHASSNCDFYVCJ-UHFFFAOYSA-N
XLogP0.20
TPSA72.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.74
LogP ≤ 50.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethylformamide;3-methylbutane-1,3-diamine;hydrochloride?
The IUPAC name of N,N-dimethylformamide;3-methylbutane-1,3-diamine;hydrochloride (CID 174891274) is N,N-dimethylformamide;3-methylbutane-1,3-diamine;hydrochloride.
What is the SMILES notation for N,N-dimethylformamide;3-methylbutane-1,3-diamine;hydrochloride?
The canonical SMILES for N,N-dimethylformamide;3-methylbutane-1,3-diamine;hydrochloride is CC(C)(N)CCN.CN(C)C=O.Cl.
What is the InChIKey of N,N-dimethylformamide;3-methylbutane-1,3-diamine;hydrochloride?
The InChIKey is VVHASSNCDFYVCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H14N2.C3H7NO.ClH/c1-5(2,7)3-4-6;1-4(2)3-5;/h3-4,6-7H2,1-2H3;3H,1-2H3;1H.
What are the key properties of N,N-dimethylformamide;3-methylbutane-1,3-diamine;hydrochloride?
N,N-dimethylformamide;3-methylbutane-1,3-diamine;hydrochloride has a molecular weight of 211.74 g/mol, XLogP of 0.20, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethylformamide;3-methylbutane-1,3-diamine;hydrochloride is sourced from PubChem (CID 174891274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).