(1R)-1-(3-methylphenyl)pentane-1,5-diamine

C12H20N2 — CID 171209871

IUPAC(1R)-1-(3-methylphenyl)pentane-1,5-diamine
SMILESCc1cccc([C@H](N)CCCCN)c1
InChIInChI=1S/C12H20N2/c1-10-5-4-6-11(9-10)12(14)7-2-3-8-13/h4-6,9,12H,2-3,7-8,13-14H2,1H3/t12-/m1/s1
InChIKeyOTFIGTAFVFEUEH-GFCCVEGCSA-N
MW192.31 g/mol
LogP2.12
Rot. Bonds5

About (1R)-1-(3-methylphenyl)pentane-1,5-diamine

(1R)-1-(3-methylphenyl)pentane-1,5-diamine (PubChem CID 171209871) has the molecular formula C12H20N2 and a molecular weight of 192.31 g/mol. Its IUPAC name is (1R)-1-(3-methylphenyl)pentane-1,5-diamine.

Molecular Properties

Compound Name(1R)-1-(3-methylphenyl)pentane-1,5-diamine
PubChem CID171209871
Molecular FormulaC12H20N2
Molecular Weight192.31 g/mol
Exact Mass192.16
IUPAC Name(1R)-1-(3-methylphenyl)pentane-1,5-diamine
SMILESCc1cccc([C@H](N)CCCCN)c1
InChIInChI=1S/C12H20N2/c1-10-5-4-6-11(9-10)12(14)7-2-3-8-13/h4-6,9,12H,2-3,7-8,13-14H2,1H3/t12-/m1/s1
InChIKeyOTFIGTAFVFEUEH-GFCCVEGCSA-N
XLogP2.12
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.31
LogP ≤ 52.12
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

(1S)-1-(3-methylphenyl)butane-1,4-diamine
CID 171229474
(1R)-3-fluoro-1-(3-methylphenyl)propan-1-amine;hydrochloride
CID 171209882
(4R)-4-amino-4-(3-methylphenyl)butan-1-ol;hydrochloride
CID 171209897
(1R)-1-(3,5-dimethylphenyl)pentane-1,5-diamine;hydrochloride
CID 171202162
3-[(1S)-1,5-diaminopentyl]phenol
CID 171218046
(1R)-1-(3-iodophenyl)pentane-1,5-diamine;hydrochloride
CID 171210552
(1S)-1-(3-propan-2-ylphenyl)butane-1,4-diamine
CID 171231579
(1R)-1-(3,4-dimethylphenyl)pentane-1,5-diamine;hydrochloride
CID 171200476
(1R)-1-(3-methylphenyl)pent-4-en-1-amine;hydrochloride
CID 171209890
(1S)-1-(2,6-dimethylphenyl)pentane-1,5-diamine
CID 171223884
(1S)-1-(3-fluoro-4-methylphenyl)pentane-1,5-diamine
CID 171223924
N-[4-amino-4-(3-methylphenyl)butyl]acetamide
CID 163883737

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(3-methylphenyl)pentane-1,5-diamine?
The IUPAC name of (1R)-1-(3-methylphenyl)pentane-1,5-diamine (CID 171209871) is (1R)-1-(3-methylphenyl)pentane-1,5-diamine.
What is the SMILES notation for (1R)-1-(3-methylphenyl)pentane-1,5-diamine?
The canonical SMILES for (1R)-1-(3-methylphenyl)pentane-1,5-diamine is Cc1cccc([C@H](N)CCCCN)c1.
What is the InChIKey of (1R)-1-(3-methylphenyl)pentane-1,5-diamine?
The InChIKey is OTFIGTAFVFEUEH-GFCCVEGCSA-N. The full InChI is InChI=1S/C12H20N2/c1-10-5-4-6-11(9-10)12(14)7-2-3-8-13/h4-6,9,12H,2-3,7-8,13-14H2,1H3/t12-/m1/s1.
What are the key properties of (1R)-1-(3-methylphenyl)pentane-1,5-diamine?
(1R)-1-(3-methylphenyl)pentane-1,5-diamine has a molecular weight of 192.31 g/mol, XLogP of 2.12, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(3-methylphenyl)pentane-1,5-diamine is sourced from PubChem (CID 171209871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).