1-N,1-N-dimethylbutane-1,3-diamine;hydrobromide

C6H17BrN2 — CID 173333881

IUPAC1-N,1-N-dimethylbutane-1,3-diamine;hydrobromide
SMILESBr.CC(N)CCN(C)C
InChIInChI=1S/C6H16N2.BrH/c1-6(7)4-5-8(2)3;/h6H,4-5,7H2,1-3H3;1H
InChIKeyYXITXPVLZCDROQ-UHFFFAOYSA-N
MW197.12 g/mol
LogP0.86
Rot. Bonds3

About 1-N,1-N-dimethylbutane-1,3-diamine;hydrobromide

1-N,1-N-dimethylbutane-1,3-diamine;hydrobromide (PubChem CID 173333881) has the molecular formula C6H17BrN2 and a molecular weight of 197.12 g/mol. Its IUPAC name is 1-N,1-N-dimethylbutane-1,3-diamine;hydrobromide.

Molecular Properties

Compound Name1-N,1-N-dimethylbutane-1,3-diamine;hydrobromide
PubChem CID173333881
Molecular FormulaC6H17BrN2
Molecular Weight197.12 g/mol
Exact Mass196.06
IUPAC Name1-N,1-N-dimethylbutane-1,3-diamine;hydrobromide
SMILESBr.CC(N)CCN(C)C
InChIInChI=1S/C6H16N2.BrH/c1-6(7)4-5-8(2)3;/h6H,4-5,7H2,1-3H3;1H
InChIKeyYXITXPVLZCDROQ-UHFFFAOYSA-N
XLogP0.86
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.12
LogP ≤ 50.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-N,1-N-dimethylbutane-1,3-diamine;hydrobromide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-N-[3-(dimethylamino)propyl]-1-N-methylhexane-1,5-diamine
CID 63693646
(4S)-4-amino-6-(dimethylamino)-2-methylhexan-3-one
CID 88918874
1-N,1-N-dimethyl-4-propan-2-yloxybutane-1,3-diamine
CID 115346211
4-amino-6-(dimethylamino)-2-methylhexan-3-one
CID 88964321
ethane;methanamine;N,N,3-trimethylbutan-1-amine
CID 143170086
1-N,1-N-di(propan-2-yl)butane-1,3-diamine
CID 57236538
(5R)-hexane-2,5-diamine
CID 144618459
N-(3-aminobutyl)-N-methylformamide
CID 90741055
1-N-methyl-1-N-(4-methylpentyl)butane-1,3-diamine
CID 90943925
N-[(3S)-3-aminobutyl]-N-methylmethanesulfonamide
CID 129411516
N-(3-aminobutyl)-N-methylacetamide
CID 88939316
propane;N,N,3-trimethylbutan-1-amine
CID 144828505

Frequently Asked Questions

What is the IUPAC name of 1-N,1-N-dimethylbutane-1,3-diamine;hydrobromide?
The IUPAC name of 1-N,1-N-dimethylbutane-1,3-diamine;hydrobromide (CID 173333881) is 1-N,1-N-dimethylbutane-1,3-diamine;hydrobromide.
What is the SMILES notation for 1-N,1-N-dimethylbutane-1,3-diamine;hydrobromide?
The canonical SMILES for 1-N,1-N-dimethylbutane-1,3-diamine;hydrobromide is Br.CC(N)CCN(C)C.
What is the InChIKey of 1-N,1-N-dimethylbutane-1,3-diamine;hydrobromide?
The InChIKey is YXITXPVLZCDROQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H16N2.BrH/c1-6(7)4-5-8(2)3;/h6H,4-5,7H2,1-3H3;1H.
What are the key properties of 1-N,1-N-dimethylbutane-1,3-diamine;hydrobromide?
1-N,1-N-dimethylbutane-1,3-diamine;hydrobromide has a molecular weight of 197.12 g/mol, XLogP of 0.86, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,1-N-dimethylbutane-1,3-diamine;hydrobromide is sourced from PubChem (CID 173333881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).