2,3-dimethyl-2-N-(quinolin-2-ylmethyl)butane-1,2-diamine;dihydrochloride

C16H25Cl2N3 — CID 119929201

IUPAC2,3-dimethyl-2-N-(quinolin-2-ylmethyl)butane-1,2-diamine;dihydrochloride
SMILESCC(C)C(C)(CN)NCc1ccc2ccccc2n1.Cl.Cl
InChIInChI=1S/C16H23N3.2ClH/c1-12(2)16(3,11-17)18-10-14-9-8-13-6-4-5-7-15(13)19-14;;/h4-9,12,18H,10-11,17H2,1-3H3;2*1H
InChIKeyRHRCJZXPLLSDPU-UHFFFAOYSA-N
MW330.30 g/mol
LogP3.54
Rot. Bonds5

About 2,3-dimethyl-2-N-(quinolin-2-ylmethyl)butane-1,2-diamine;dihydrochloride

2,3-dimethyl-2-N-(quinolin-2-ylmethyl)butane-1,2-diamine;dihydrochloride (PubChem CID 119929201) has the molecular formula C16H25Cl2N3 and a molecular weight of 330.30 g/mol. Its IUPAC name is 2,3-dimethyl-2-N-(quinolin-2-ylmethyl)butane-1,2-diamine;dihydrochloride.

Molecular Properties

Compound Name2,3-dimethyl-2-N-(quinolin-2-ylmethyl)butane-1,2-diamine;dihydrochloride
PubChem CID119929201
Molecular FormulaC16H25Cl2N3
Molecular Weight330.30 g/mol
Exact Mass329.14
IUPAC Name2,3-dimethyl-2-N-(quinolin-2-ylmethyl)butane-1,2-diamine;dihydrochloride
SMILESCC(C)C(C)(CN)NCc1ccc2ccccc2n1.Cl.Cl
InChIInChI=1S/C16H23N3.2ClH/c1-12(2)16(3,11-17)18-10-14-9-8-13-6-4-5-7-15(13)19-14;;/h4-9,12,18H,10-11,17H2,1-3H3;2*1H
InChIKeyRHRCJZXPLLSDPU-UHFFFAOYSA-N
XLogP3.54
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.30
LogP ≤ 53.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2,3-dimethyl-2-N-(naphthalen-2-ylmethyl)butane-1,2-diamine
CID 119929198
2-methyl-N-(quinolin-2-ylmethyl)pentan-3-amine
CID 54954967
quinolin-2-ylmethanamine;dihydrochloride
CID 18507294
2-methyl-N-(quinolin-2-ylmethyl)propan-1-amine
CID 28774774
N-(quinolin-2-ylmethyl)butan-2-amine
CID 43183332
1-chloro-2-(chloromethyl)-N-(quinolin-2-ylmethyl)butan-2-amine
CID 107867234
1-chloro-3-methyl-N-(quinolin-2-ylmethyl)pentan-3-amine
CID 114152911
3-methyl-3-(quinolin-2-ylmethylamino)pentan-1-ol
CID 103768861
4-methyl-N-(quinolin-2-ylmethyl)pentan-2-amine
CID 43372170
(2R)-2-(quinolin-2-ylmethylamino)propan-1-ol
CID 93083144
2-methyl-N-(2-quinolin-2-ylethyl)propan-2-amine
CID 62549000
N-(quinolin-2-ylmethyl)pentan-3-amine
CID 28774778

Frequently Asked Questions

What is the IUPAC name of 2,3-dimethyl-2-N-(quinolin-2-ylmethyl)butane-1,2-diamine;dihydrochloride?
The IUPAC name of 2,3-dimethyl-2-N-(quinolin-2-ylmethyl)butane-1,2-diamine;dihydrochloride (CID 119929201) is 2,3-dimethyl-2-N-(quinolin-2-ylmethyl)butane-1,2-diamine;dihydrochloride.
What is the SMILES notation for 2,3-dimethyl-2-N-(quinolin-2-ylmethyl)butane-1,2-diamine;dihydrochloride?
The canonical SMILES for 2,3-dimethyl-2-N-(quinolin-2-ylmethyl)butane-1,2-diamine;dihydrochloride is CC(C)C(C)(CN)NCc1ccc2ccccc2n1.Cl.Cl.
What is the InChIKey of 2,3-dimethyl-2-N-(quinolin-2-ylmethyl)butane-1,2-diamine;dihydrochloride?
The InChIKey is RHRCJZXPLLSDPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3.2ClH/c1-12(2)16(3,11-17)18-10-14-9-8-13-6-4-5-7-15(13)19-14;;/h4-9,12,18H,10-11,17H2,1-3H3;2*1H.
What are the key properties of 2,3-dimethyl-2-N-(quinolin-2-ylmethyl)butane-1,2-diamine;dihydrochloride?
2,3-dimethyl-2-N-(quinolin-2-ylmethyl)butane-1,2-diamine;dihydrochloride has a molecular weight of 330.30 g/mol, XLogP of 3.54, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethyl-2-N-(quinolin-2-ylmethyl)butane-1,2-diamine;dihydrochloride is sourced from PubChem (CID 119929201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).