(1S)-1-(2,6-dimethylphenyl)pentane-1,5-diamine

C13H22N2 — CID 171223884

IUPAC(1S)-1-(2,6-dimethylphenyl)pentane-1,5-diamine
SMILESCc1cccc(C)c1[C@@H](N)CCCCN
InChIInChI=1S/C13H22N2/c1-10-6-5-7-11(2)13(10)12(15)8-3-4-9-14/h5-7,12H,3-4,8-9,14-15H2,1-2H3/t12-/m0/s1
InChIKeyVXMRPQREKALSDB-LBPRGKRZSA-N
MW206.33 g/mol
LogP2.43
Rot. Bonds5

About (1S)-1-(2,6-dimethylphenyl)pentane-1,5-diamine

(1S)-1-(2,6-dimethylphenyl)pentane-1,5-diamine (PubChem CID 171223884) has the molecular formula C13H22N2 and a molecular weight of 206.33 g/mol. Its IUPAC name is (1S)-1-(2,6-dimethylphenyl)pentane-1,5-diamine.

Molecular Properties

Compound Name(1S)-1-(2,6-dimethylphenyl)pentane-1,5-diamine
PubChem CID171223884
Molecular FormulaC13H22N2
Molecular Weight206.33 g/mol
Exact Mass206.18
IUPAC Name(1S)-1-(2,6-dimethylphenyl)pentane-1,5-diamine
SMILESCc1cccc(C)c1[C@@H](N)CCCCN
InChIInChI=1S/C13H22N2/c1-10-6-5-7-11(2)13(10)12(15)8-3-4-9-14/h5-7,12H,3-4,8-9,14-15H2,1-2H3/t12-/m0/s1
InChIKeyVXMRPQREKALSDB-LBPRGKRZSA-N
XLogP2.43
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.33
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-[(1R)-1,5-diaminopentyl]-3,5-dimethylphenol
CID 171198700
(1R)-1-(2,6-dimethylphenyl)-3-fluoropropan-1-amine;hydrochloride
CID 171204326
1-(2,6-dimethylphenyl)butan-1-amine
CID 55283008
(3S)-3-amino-3-(2,6-dimethylphenyl)propan-1-ol
CID 130664971
(1S)-1-(2-chloro-6-methylphenyl)propane-1,3-diamine
CID 130854028
(1S)-1-(2,6-difluoro-3-methylphenyl)pentane-1,5-diamine;hydrochloride
CID 171229550
(1R)-1-(3-methylphenyl)pentane-1,5-diamine
CID 171209871
(1R)-1-(2-chloro-6-methylphenyl)hexan-1-amine;hydrochloride
CID 171210725
1-(2,6-dimethylphenyl)propan-1-amine
CID 55282920
1-(2,6-dimethylphenyl)-2-fluoroethanamine
CID 130061517
4-[(1S)-1,4-diaminobutyl]-3,5-dimethylphenol;hydrochloride
CID 171218216
(1S)-1-(6-methyl-2-pyridinyl)pentane-1,5-diamine
CID 171230275

Frequently Asked Questions

What is the IUPAC name of (1S)-1-(2,6-dimethylphenyl)pentane-1,5-diamine?
The IUPAC name of (1S)-1-(2,6-dimethylphenyl)pentane-1,5-diamine (CID 171223884) is (1S)-1-(2,6-dimethylphenyl)pentane-1,5-diamine.
What is the SMILES notation for (1S)-1-(2,6-dimethylphenyl)pentane-1,5-diamine?
The canonical SMILES for (1S)-1-(2,6-dimethylphenyl)pentane-1,5-diamine is Cc1cccc(C)c1[C@@H](N)CCCCN.
What is the InChIKey of (1S)-1-(2,6-dimethylphenyl)pentane-1,5-diamine?
The InChIKey is VXMRPQREKALSDB-LBPRGKRZSA-N. The full InChI is InChI=1S/C13H22N2/c1-10-6-5-7-11(2)13(10)12(15)8-3-4-9-14/h5-7,12H,3-4,8-9,14-15H2,1-2H3/t12-/m0/s1.
What are the key properties of (1S)-1-(2,6-dimethylphenyl)pentane-1,5-diamine?
(1S)-1-(2,6-dimethylphenyl)pentane-1,5-diamine has a molecular weight of 206.33 g/mol, XLogP of 2.43, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-(2,6-dimethylphenyl)pentane-1,5-diamine is sourced from PubChem (CID 171223884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).