6-[2-(4-methylphenyl)pyrrolidin-1-yl]hexan-1-amine

C17H28N2 — CID 166174169

IUPAC6-[2-(4-methylphenyl)pyrrolidin-1-yl]hexan-1-amine
SMILESCc1ccc(C2CCCN2CCCCCCN)cc1
InChIInChI=1S/C17H28N2/c1-15-8-10-16(11-9-15)17-7-6-14-19(17)13-5-3-2-4-12-18/h8-11,17H,2-7,12-14,18H2,1H3
InChIKeyURUXOOLXNLYUME-UHFFFAOYSA-N
MW260.43 g/mol
LogP3.65
Rot. Bonds7

About 6-[2-(4-methylphenyl)pyrrolidin-1-yl]hexan-1-amine

6-[2-(4-methylphenyl)pyrrolidin-1-yl]hexan-1-amine (PubChem CID 166174169) has the molecular formula C17H28N2 and a molecular weight of 260.43 g/mol. Its IUPAC name is 6-[2-(4-methylphenyl)pyrrolidin-1-yl]hexan-1-amine.

Molecular Properties

Compound Name6-[2-(4-methylphenyl)pyrrolidin-1-yl]hexan-1-amine
PubChem CID166174169
Molecular FormulaC17H28N2
Molecular Weight260.43 g/mol
Exact Mass260.23
IUPAC Name6-[2-(4-methylphenyl)pyrrolidin-1-yl]hexan-1-amine
SMILESCc1ccc(C2CCCN2CCCCCCN)cc1
InChIInChI=1S/C17H28N2/c1-15-8-10-16(11-9-15)17-7-6-14-19(17)13-5-3-2-4-12-18/h8-11,17H,2-7,12-14,18H2,1H3
InChIKeyURUXOOLXNLYUME-UHFFFAOYSA-N
XLogP3.65
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.43
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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CID 62436
Prolintane
CID 14592
Isopropylbenzylamine
CID 66024
N-(1,1-Dimethylethyl)benzenemethanamine
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Norbenzphetamine
CID 102554
1-(4-Methylphenyl)ethylamine
CID 577386
N-Benzylamphetamine
CID 10149140
Prolintane Hydrochloride
CID 14591
Bis(alpha-methylbenzyl)amine
CID 24804
1-Benzyl-4-piperidylamine
CID 415852
1-Methyl-3-phenylpiperazine
CID 2760009
2-Phenylpyrrolidine
CID 261892

Frequently Asked Questions

What is the IUPAC name of 6-[2-(4-methylphenyl)pyrrolidin-1-yl]hexan-1-amine?
The IUPAC name of 6-[2-(4-methylphenyl)pyrrolidin-1-yl]hexan-1-amine (CID 166174169) is 6-[2-(4-methylphenyl)pyrrolidin-1-yl]hexan-1-amine.
What is the SMILES notation for 6-[2-(4-methylphenyl)pyrrolidin-1-yl]hexan-1-amine?
The canonical SMILES for 6-[2-(4-methylphenyl)pyrrolidin-1-yl]hexan-1-amine is Cc1ccc(C2CCCN2CCCCCCN)cc1.
What is the InChIKey of 6-[2-(4-methylphenyl)pyrrolidin-1-yl]hexan-1-amine?
The InChIKey is URUXOOLXNLYUME-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2/c1-15-8-10-16(11-9-15)17-7-6-14-19(17)13-5-3-2-4-12-18/h8-11,17H,2-7,12-14,18H2,1H3.
What are the key properties of 6-[2-(4-methylphenyl)pyrrolidin-1-yl]hexan-1-amine?
6-[2-(4-methylphenyl)pyrrolidin-1-yl]hexan-1-amine has a molecular weight of 260.43 g/mol, XLogP of 3.65, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(4-methylphenyl)pyrrolidin-1-yl]hexan-1-amine is sourced from PubChem (CID 166174169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).