1-(7-methyltridecan-7-yl)pyrrolidine

C18H37N — CID 131990775

IUPAC1-(7-methyltridecan-7-yl)pyrrolidine
SMILESCCCCCCC(C)(CCCCCC)N1CCCC1
InChIInChI=1S/C18H37N/c1-4-6-8-10-14-18(3,15-11-9-7-5-2)19-16-12-13-17-19/h4-17H2,1-3H3
InChIKeyATHYLYJDDNABRO-UHFFFAOYSA-N
MW267.50 g/mol
LogP5.78
Rot. Bonds11

About 1-(7-methyltridecan-7-yl)pyrrolidine

1-(7-methyltridecan-7-yl)pyrrolidine (PubChem CID 131990775) has the molecular formula C18H37N and a molecular weight of 267.50 g/mol. Its IUPAC name is 1-(7-methyltridecan-7-yl)pyrrolidine.

Molecular Properties

Compound Name1-(7-methyltridecan-7-yl)pyrrolidine
PubChem CID131990775
Molecular FormulaC18H37N
Molecular Weight267.50 g/mol
Exact Mass267.29
IUPAC Name1-(7-methyltridecan-7-yl)pyrrolidine
SMILESCCCCCCC(C)(CCCCCC)N1CCCC1
InChIInChI=1S/C18H37N/c1-4-6-8-10-14-18(3,15-11-9-7-5-2)19-16-12-13-17-19/h4-17H2,1-3H3
InChIKeyATHYLYJDDNABRO-UHFFFAOYSA-N
XLogP5.78
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds11
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500267.50
LogP ≤ 55.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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CID 64527597
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CID 170232998
1-(3-methylheptan-3-yl)piperidine
CID 154999026
4-(5-methyldodecan-5-yl)morpholine
CID 138551223
1-(7-methyltetradecan-7-yl)-1,3-diazetidine
CID 139436879
1-(7-methyltetradecan-7-yl)piperidin-3-amine
CID 126486331
1-(6-methyldodecan-6-yl)azetidin-3-amine
CID 130337700
2-(azepan-1-yl)-2-methylnonanenitrile
CID 63407747
4-(3-methylnonan-3-yl)-1,4-thiazinane 1,1-dioxide
CID 138503013
1-(7-methyltridecan-7-yl)pyrrolidine-3-carboxylic acid
CID 138747066
3-methyl-1-(5-methyldodecan-5-yl)azetidin-3-ol
CID 139320078
2-methyl-2-(4-propan-2-ylpiperidin-1-yl)nonan-1-amine
CID 103494824

Frequently Asked Questions

What is the IUPAC name of 1-(7-methyltridecan-7-yl)pyrrolidine?
The IUPAC name of 1-(7-methyltridecan-7-yl)pyrrolidine (CID 131990775) is 1-(7-methyltridecan-7-yl)pyrrolidine.
What is the SMILES notation for 1-(7-methyltridecan-7-yl)pyrrolidine?
The canonical SMILES for 1-(7-methyltridecan-7-yl)pyrrolidine is CCCCCCC(C)(CCCCCC)N1CCCC1.
What is the InChIKey of 1-(7-methyltridecan-7-yl)pyrrolidine?
The InChIKey is ATHYLYJDDNABRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H37N/c1-4-6-8-10-14-18(3,15-11-9-7-5-2)19-16-12-13-17-19/h4-17H2,1-3H3.
What are the key properties of 1-(7-methyltridecan-7-yl)pyrrolidine?
1-(7-methyltridecan-7-yl)pyrrolidine has a molecular weight of 267.50 g/mol, XLogP of 5.78, 11 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(7-methyltridecan-7-yl)pyrrolidine is sourced from PubChem (CID 131990775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).