N,N-dimethylbutan-1-amine;dihydrochloride

C6H17Cl2N — CID 174248401

IUPACN,N-dimethylbutan-1-amine;dihydrochloride
SMILESCCCCN(C)C.Cl.Cl
InChIInChI=1S/C6H15N.2ClH/c1-4-5-6-7(2)3;;/h4-6H2,1-3H3;2*1H
InChIKeyKOGJADACTLLVGX-UHFFFAOYSA-N
MW174.12 g/mol
LogP2.19
Rot. Bonds3

About N,N-dimethylbutan-1-amine;dihydrochloride

N,N-dimethylbutan-1-amine;dihydrochloride (PubChem CID 174248401) has the molecular formula C6H17Cl2N and a molecular weight of 174.12 g/mol. Its IUPAC name is N,N-dimethylbutan-1-amine;dihydrochloride.

Molecular Properties

Compound NameN,N-dimethylbutan-1-amine;dihydrochloride
PubChem CID174248401
Molecular FormulaC6H17Cl2N
Molecular Weight174.12 g/mol
Exact Mass173.07
IUPAC NameN,N-dimethylbutan-1-amine;dihydrochloride
SMILESCCCCN(C)C.Cl.Cl
InChIInChI=1S/C6H15N.2ClH/c1-4-5-6-7(2)3;;/h4-6H2,1-3H3;2*1H
InChIKeyKOGJADACTLLVGX-UHFFFAOYSA-N
XLogP2.19
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.12
LogP ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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N,N-dimethylhexadecan-1-amine;hydrobromide
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CID 175534819
N,N-dimethylpentacosan-1-amine;hydrobromide
CID 174802696
borane;N,N-dimethylhexan-1-amine
CID 134905026
N,N-dimethyldecan-1-amine;ruthenium
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Frequently Asked Questions

What is the IUPAC name of N,N-dimethylbutan-1-amine;dihydrochloride?
The IUPAC name of N,N-dimethylbutan-1-amine;dihydrochloride (CID 174248401) is N,N-dimethylbutan-1-amine;dihydrochloride.
What is the SMILES notation for N,N-dimethylbutan-1-amine;dihydrochloride?
The canonical SMILES for N,N-dimethylbutan-1-amine;dihydrochloride is CCCCN(C)C.Cl.Cl.
What is the InChIKey of N,N-dimethylbutan-1-amine;dihydrochloride?
The InChIKey is KOGJADACTLLVGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H15N.2ClH/c1-4-5-6-7(2)3;;/h4-6H2,1-3H3;2*1H.
What are the key properties of N,N-dimethylbutan-1-amine;dihydrochloride?
N,N-dimethylbutan-1-amine;dihydrochloride has a molecular weight of 174.12 g/mol, XLogP of 2.19, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethylbutan-1-amine;dihydrochloride is sourced from PubChem (CID 174248401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).