3-(2-methylheptan-2-yl)pyrrolidine

C12H25N — CID 139502538

IUPAC3-(2-methylheptan-2-yl)pyrrolidine
SMILESCCCCCC(C)(C)C1CCNC1
InChIInChI=1S/C12H25N/c1-4-5-6-8-12(2,3)11-7-9-13-10-11/h11,13H,4-10H2,1-3H3
InChIKeyZQSVZQQRIGIUBH-UHFFFAOYSA-N
MW183.34 g/mol
LogP3.20
Rot. Bonds5

About 3-(2-methylheptan-2-yl)pyrrolidine

3-(2-methylheptan-2-yl)pyrrolidine (PubChem CID 139502538) has the molecular formula C12H25N and a molecular weight of 183.34 g/mol. Its IUPAC name is 3-(2-methylheptan-2-yl)pyrrolidine.

Molecular Properties

Compound Name3-(2-methylheptan-2-yl)pyrrolidine
PubChem CID139502538
Molecular FormulaC12H25N
Molecular Weight183.34 g/mol
Exact Mass183.20
IUPAC Name3-(2-methylheptan-2-yl)pyrrolidine
SMILESCCCCCC(C)(C)C1CCNC1
InChIInChI=1S/C12H25N/c1-4-5-6-8-12(2,3)11-7-9-13-10-11/h11,13H,4-10H2,1-3H3
InChIKeyZQSVZQQRIGIUBH-UHFFFAOYSA-N
XLogP3.20
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.34
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3-(5-methyldecan-5-yl)pyrrolidine
CID 139342176
4-(8-methylpentadecan-8-yl)piperidine
CID 167069655
2-piperidin-3-yloctan-2-ol
CID 65146111
3-(5-methyldodecan-5-yl)piperidine
CID 170226915
butyl 2-methyl-2-pyrrolidin-3-ylpropanoate
CID 11564749
1-butoxy-2-[(3R)-pyrrolidin-3-yl]propan-2-ol
CID 66758977
2-methyl-2-pyrrolidin-3-ylpropanoic acid
CID 82652022
2-pyrrolidin-3-ylbutan-2-ol
CID 105428542
4-methyl-3-(7-methyltetradecan-7-yl)piperidine
CID 154952997
3-(2-methylpentan-2-yl)azetidine
CID 167096507
4-(2-methyloctan-2-yl)thiane 1,1-dioxide
CID 130320648
(3R)-3-(1,1-difluoroethyl)pyrrolidine
CID 154810011

Frequently Asked Questions

What is the IUPAC name of 3-(2-methylheptan-2-yl)pyrrolidine?
The IUPAC name of 3-(2-methylheptan-2-yl)pyrrolidine (CID 139502538) is 3-(2-methylheptan-2-yl)pyrrolidine.
What is the SMILES notation for 3-(2-methylheptan-2-yl)pyrrolidine?
The canonical SMILES for 3-(2-methylheptan-2-yl)pyrrolidine is CCCCCC(C)(C)C1CCNC1.
What is the InChIKey of 3-(2-methylheptan-2-yl)pyrrolidine?
The InChIKey is ZQSVZQQRIGIUBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N/c1-4-5-6-8-12(2,3)11-7-9-13-10-11/h11,13H,4-10H2,1-3H3.
What are the key properties of 3-(2-methylheptan-2-yl)pyrrolidine?
3-(2-methylheptan-2-yl)pyrrolidine has a molecular weight of 183.34 g/mol, XLogP of 3.20, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methylheptan-2-yl)pyrrolidine is sourced from PubChem (CID 139502538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).