1-hexylpyrrolidine;propan-2-amine

C13H30N2 — CID 166169325

IUPAC1-hexylpyrrolidine;propan-2-amine
SMILESCC(C)N.CCCCCCN1CCCC1
InChIInChI=1S/C10H21N.C3H9N/c1-2-3-4-5-8-11-9-6-7-10-11;1-3(2)4/h2-10H2,1H3;3H,4H2,1-2H3
InChIKeyXGNXGZMBZVFZAM-UHFFFAOYSA-N
MW214.40 g/mol
LogP3.02
Rot. Bonds5

About 1-hexylpyrrolidine;propan-2-amine

1-hexylpyrrolidine;propan-2-amine (PubChem CID 166169325) has the molecular formula C13H30N2 and a molecular weight of 214.40 g/mol. Its IUPAC name is 1-hexylpyrrolidine;propan-2-amine.

Molecular Properties

Compound Name1-hexylpyrrolidine;propan-2-amine
PubChem CID166169325
Molecular FormulaC13H30N2
Molecular Weight214.40 g/mol
Exact Mass214.24
IUPAC Name1-hexylpyrrolidine;propan-2-amine
SMILESCC(C)N.CCCCCCN1CCCC1
InChIInChI=1S/C10H21N.C3H9N/c1-2-3-4-5-8-11-9-6-7-10-11;1-3(2)4/h2-10H2,1H3;3H,4H2,1-2H3
InChIKeyXGNXGZMBZVFZAM-UHFFFAOYSA-N
XLogP3.02
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.40
LogP ≤ 53.02
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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1-tetradecylpiperidine;hydrochloride
CID 71325293
CID 162323144
CID 162323144
ethane;1-nonylpiperidine
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1-butylpiperidine;hexane;1-hexylpiperidine
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1-heptylazetidine
CID 134402356
1,4,7,10-tetraheptyl-1,4,7,10-tetrazacyclotridecane
CID 24824731
1-octylaziridine
CID 544653
1,4,7-tridodecyl-1,4,7-triazonane
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acetic acid;1-dodecylpyrrolidine
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Frequently Asked Questions

What is the IUPAC name of 1-hexylpyrrolidine;propan-2-amine?
The IUPAC name of 1-hexylpyrrolidine;propan-2-amine (CID 166169325) is 1-hexylpyrrolidine;propan-2-amine.
What is the SMILES notation for 1-hexylpyrrolidine;propan-2-amine?
The canonical SMILES for 1-hexylpyrrolidine;propan-2-amine is CC(C)N.CCCCCCN1CCCC1.
What is the InChIKey of 1-hexylpyrrolidine;propan-2-amine?
The InChIKey is XGNXGZMBZVFZAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N.C3H9N/c1-2-3-4-5-8-11-9-6-7-10-11;1-3(2)4/h2-10H2,1H3;3H,4H2,1-2H3.
What are the key properties of 1-hexylpyrrolidine;propan-2-amine?
1-hexylpyrrolidine;propan-2-amine has a molecular weight of 214.40 g/mol, XLogP of 3.02, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hexylpyrrolidine;propan-2-amine is sourced from PubChem (CID 166169325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).