N-(2-chloro-3-methylbutyl)-N',N'-dimethylpropane-1,3-diamine

C10H23ClN2 — CID 114526723

IUPACN-(2-chloro-3-methylbutyl)-N',N'-dimethylpropane-1,3-diamine
SMILESCC(C)C(Cl)CNCCCN(C)C
InChIInChI=1S/C10H23ClN2/c1-9(2)10(11)8-12-6-5-7-13(3)4/h9-10,12H,5-8H2,1-4H3
InChIKeyVAHYCUQMMBMUKG-UHFFFAOYSA-N
MW206.76 g/mol
LogP1.79
Rot. Bonds7

About N-(2-chloro-3-methylbutyl)-N',N'-dimethylpropane-1,3-diamine

N-(2-chloro-3-methylbutyl)-N',N'-dimethylpropane-1,3-diamine (PubChem CID 114526723) has the molecular formula C10H23ClN2 and a molecular weight of 206.76 g/mol. Its IUPAC name is N-(2-chloro-3-methylbutyl)-N',N'-dimethylpropane-1,3-diamine.

Molecular Properties

Compound NameN-(2-chloro-3-methylbutyl)-N',N'-dimethylpropane-1,3-diamine
PubChem CID114526723
Molecular FormulaC10H23ClN2
Molecular Weight206.76 g/mol
Exact Mass206.15
IUPAC NameN-(2-chloro-3-methylbutyl)-N',N'-dimethylpropane-1,3-diamine
SMILESCC(C)C(Cl)CNCCCN(C)C
InChIInChI=1S/C10H23ClN2/c1-9(2)10(11)8-12-6-5-7-13(3)4/h9-10,12H,5-8H2,1-4H3
InChIKeyVAHYCUQMMBMUKG-UHFFFAOYSA-N
XLogP1.79
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.76
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N,N'-bis[3-(dimethylamino)propyl]propane-1,3-diamine
CID 10999288
methyl (2R)-3-[3-(dimethylamino)propylamino]-2-methylpropanoate
CID 93035176
N-(3-chloropentyl)-N',N'-dimethylpropane-1,3-diamine
CID 114526728
N-(2,2-diphenylethyl)-N',N'-dimethylpropane-1,3-diamine
CID 103603219
N',N'-dimethyl-N-(2-methylpropyl)ethane-1,2-diamine
CID 16772870
N,N,N'-trimethyl-N'-[2-(2-methylpropylamino)ethyl]propane-1,3-diamine
CID 63725817
1-cyclopentyl-3-[3-(dimethylamino)propylamino]propan-2-ol
CID 103157144
N',N'-dimethyl-N-[2-(3-methylbutan-2-ylsulfonyl)ethyl]propane-1,3-diamine
CID 107757347
N'-[2-(dimethylamino)ethyl]-N-(2-methylpropyl)-N'-propylpropane-1,3-diamine
CID 62436876
2-chloro-3-methyl-N-(2-propan-2-ylsulfonylethyl)butan-1-amine
CID 106731318
2-[3-(dimethylamino)propylamino]ethanol;dihydrochloride
CID 21254466
3-chloro-N-[3-(dimethylamino)propyl]-2-methylpropanamide
CID 62729377

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-3-methylbutyl)-N',N'-dimethylpropane-1,3-diamine?
The IUPAC name of N-(2-chloro-3-methylbutyl)-N',N'-dimethylpropane-1,3-diamine (CID 114526723) is N-(2-chloro-3-methylbutyl)-N',N'-dimethylpropane-1,3-diamine.
What is the SMILES notation for N-(2-chloro-3-methylbutyl)-N',N'-dimethylpropane-1,3-diamine?
The canonical SMILES for N-(2-chloro-3-methylbutyl)-N',N'-dimethylpropane-1,3-diamine is CC(C)C(Cl)CNCCCN(C)C.
What is the InChIKey of N-(2-chloro-3-methylbutyl)-N',N'-dimethylpropane-1,3-diamine?
The InChIKey is VAHYCUQMMBMUKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23ClN2/c1-9(2)10(11)8-12-6-5-7-13(3)4/h9-10,12H,5-8H2,1-4H3.
What are the key properties of N-(2-chloro-3-methylbutyl)-N',N'-dimethylpropane-1,3-diamine?
N-(2-chloro-3-methylbutyl)-N',N'-dimethylpropane-1,3-diamine has a molecular weight of 206.76 g/mol, XLogP of 1.79, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-3-methylbutyl)-N',N'-dimethylpropane-1,3-diamine is sourced from PubChem (CID 114526723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).