(1R)-1-(4-pentylphenyl)ethane-1,2-diamine

C13H22N2 — CID 66517020

IUPAC(1R)-1-(4-pentylphenyl)ethane-1,2-diamine
SMILESCCCCCc1ccc([C@@H](N)CN)cc1
InChIInChI=1S/C13H22N2/c1-2-3-4-5-11-6-8-12(9-7-11)13(15)10-14/h6-9,13H,2-5,10,14-15H2,1H3/t13-/m0/s1
InChIKeyOYVZRDAUDZAJKR-ZDUSSCGKSA-N
MW206.33 g/mol
LogP2.38
Rot. Bonds6

About (1R)-1-(4-pentylphenyl)ethane-1,2-diamine

(1R)-1-(4-pentylphenyl)ethane-1,2-diamine (PubChem CID 66517020) has the molecular formula C13H22N2 and a molecular weight of 206.33 g/mol. Its IUPAC name is (1R)-1-(4-pentylphenyl)ethane-1,2-diamine.

Molecular Properties

Compound Name(1R)-1-(4-pentylphenyl)ethane-1,2-diamine
PubChem CID66517020
Molecular FormulaC13H22N2
Molecular Weight206.33 g/mol
Exact Mass206.18
IUPAC Name(1R)-1-(4-pentylphenyl)ethane-1,2-diamine
SMILESCCCCCc1ccc([C@@H](N)CN)cc1
InChIInChI=1S/C13H22N2/c1-2-3-4-5-11-6-8-12(9-7-11)13(15)10-14/h6-9,13H,2-5,10,14-15H2,1H3/t13-/m0/s1
InChIKeyOYVZRDAUDZAJKR-ZDUSSCGKSA-N
XLogP2.38
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.33
LogP ≤ 52.38
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

2-amino-2-(4-octylphenyl)ethanol
CID 19881300
(1S)-1-(4-hexylphenyl)ethanamine
CID 25324494
(1R)-1-(4-ethylphenyl)ethane-1,2-diamine
CID 66516086
5-amino-5-(4-octylphenyl)pentane-1,3-diol
CID 70232291
2-[2-amino-1-(4-octylphenyl)ethyl]propane-1,3-diol
CID 142762392
bis(4-tridecylphenyl)methanol
CID 139673626
1,2-bis(4-octylphenyl)ethane-1,2-dithiol
CID 101102627
2-(4-butylphenyl)-3-methylbutan-1-amine
CID 112507875
[(1R)-1-(4-pentylphenyl)ethyl]hydrazine
CID 124633889
1-(4-pentylphenyl)ethylhydrazine
CID 53402344
1-butyl-4-nonylbenzene
CID 59545302
1-butyl-4-propan-2-ylbenzene;hexane
CID 142937575

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(4-pentylphenyl)ethane-1,2-diamine?
The IUPAC name of (1R)-1-(4-pentylphenyl)ethane-1,2-diamine (CID 66517020) is (1R)-1-(4-pentylphenyl)ethane-1,2-diamine.
What is the SMILES notation for (1R)-1-(4-pentylphenyl)ethane-1,2-diamine?
The canonical SMILES for (1R)-1-(4-pentylphenyl)ethane-1,2-diamine is CCCCCc1ccc([C@@H](N)CN)cc1.
What is the InChIKey of (1R)-1-(4-pentylphenyl)ethane-1,2-diamine?
The InChIKey is OYVZRDAUDZAJKR-ZDUSSCGKSA-N. The full InChI is InChI=1S/C13H22N2/c1-2-3-4-5-11-6-8-12(9-7-11)13(15)10-14/h6-9,13H,2-5,10,14-15H2,1H3/t13-/m0/s1.
What are the key properties of (1R)-1-(4-pentylphenyl)ethane-1,2-diamine?
(1R)-1-(4-pentylphenyl)ethane-1,2-diamine has a molecular weight of 206.33 g/mol, XLogP of 2.38, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(4-pentylphenyl)ethane-1,2-diamine is sourced from PubChem (CID 66517020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).