(2R)-1-N-(3,5-dimethylphenyl)-1-N,4-dimethylpentane-1,2-diamine

C15H26N2 — CID 112736590

IUPAC(2R)-1-N-(3,5-dimethylphenyl)-1-N,4-dimethylpentane-1,2-diamine
SMILESCc1cc(C)cc(N(C)C[C@H](N)CC(C)C)c1
InChIInChI=1S/C15H26N2/c1-11(2)6-14(16)10-17(5)15-8-12(3)7-13(4)9-15/h7-9,11,14H,6,10,16H2,1-5H3/t14-/m1/s1
InChIKeyXWZXPWROTNJKKD-CQSZACIVSA-N
MW234.39 g/mol
LogP3.11
Rot. Bonds5

About (2R)-1-N-(3,5-dimethylphenyl)-1-N,4-dimethylpentane-1,2-diamine

(2R)-1-N-(3,5-dimethylphenyl)-1-N,4-dimethylpentane-1,2-diamine (PubChem CID 112736590) has the molecular formula C15H26N2 and a molecular weight of 234.39 g/mol. Its IUPAC name is (2R)-1-N-(3,5-dimethylphenyl)-1-N,4-dimethylpentane-1,2-diamine.

Molecular Properties

Compound Name(2R)-1-N-(3,5-dimethylphenyl)-1-N,4-dimethylpentane-1,2-diamine
PubChem CID112736590
Molecular FormulaC15H26N2
Molecular Weight234.39 g/mol
Exact Mass234.21
IUPAC Name(2R)-1-N-(3,5-dimethylphenyl)-1-N,4-dimethylpentane-1,2-diamine
SMILESCc1cc(C)cc(N(C)C[C@H](N)CC(C)C)c1
InChIInChI=1S/C15H26N2/c1-11(2)6-14(16)10-17(5)15-8-12(3)7-13(4)9-15/h7-9,11,14H,6,10,16H2,1-5H3/t14-/m1/s1
InChIKeyXWZXPWROTNJKKD-CQSZACIVSA-N
XLogP3.11
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.39
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 62001860
N-[2-(bromomethyl)-3-methylbutyl]-N,3,5-trimethylaniline
CID 65011630
1-N-(3,5-dimethylphenyl)-1-N,2,2-trimethylbutane-1,3-diamine
CID 66453644
N'-(3,5-dimethylphenyl)-N',2-dimethylbutane-1,4-diamine
CID 81079446
1-N,4-dimethyl-1-N-propan-2-ylpentane-1,2-diamine
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(2S)-1-N-methyl-1-N-(4-methylphenyl)propane-1,2-diamine
CID 28772456
1-N-(4-methoxy-3,5-dimethylphenyl)-1-N-methylpropane-1,2-diamine
CID 115196458
1-N-methyl-1-N-(3-methylphenyl)heptane-1,2-diamine
CID 70562883
1-(3,5-dimethylphenyl)-3,5-dimethylhexan-1-amine
CID 114201703
(2R)-1-N,1-N-diethyl-4-methylpentane-1,2-diamine
CID 28596904
2-(N,3,5-trimethylanilino)acetonitrile
CID 61036155
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CID 162176469

Frequently Asked Questions

What is the IUPAC name of (2R)-1-N-(3,5-dimethylphenyl)-1-N,4-dimethylpentane-1,2-diamine?
The IUPAC name of (2R)-1-N-(3,5-dimethylphenyl)-1-N,4-dimethylpentane-1,2-diamine (CID 112736590) is (2R)-1-N-(3,5-dimethylphenyl)-1-N,4-dimethylpentane-1,2-diamine.
What is the SMILES notation for (2R)-1-N-(3,5-dimethylphenyl)-1-N,4-dimethylpentane-1,2-diamine?
The canonical SMILES for (2R)-1-N-(3,5-dimethylphenyl)-1-N,4-dimethylpentane-1,2-diamine is Cc1cc(C)cc(N(C)C[C@H](N)CC(C)C)c1.
What is the InChIKey of (2R)-1-N-(3,5-dimethylphenyl)-1-N,4-dimethylpentane-1,2-diamine?
The InChIKey is XWZXPWROTNJKKD-CQSZACIVSA-N. The full InChI is InChI=1S/C15H26N2/c1-11(2)6-14(16)10-17(5)15-8-12(3)7-13(4)9-15/h7-9,11,14H,6,10,16H2,1-5H3/t14-/m1/s1.
What are the key properties of (2R)-1-N-(3,5-dimethylphenyl)-1-N,4-dimethylpentane-1,2-diamine?
(2R)-1-N-(3,5-dimethylphenyl)-1-N,4-dimethylpentane-1,2-diamine has a molecular weight of 234.39 g/mol, XLogP of 3.11, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-N-(3,5-dimethylphenyl)-1-N,4-dimethylpentane-1,2-diamine is sourced from PubChem (CID 112736590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).