(1-decyl-3-methylpyrrolidin-2-yl)methanamine

C16H34N2 — CID 102784470

IUPAC(1-decyl-3-methylpyrrolidin-2-yl)methanamine
SMILESCCCCCCCCCCN1CCC(C)C1CN
InChIInChI=1S/C16H34N2/c1-3-4-5-6-7-8-9-10-12-18-13-11-15(2)16(18)14-17/h15-16H,3-14,17H2,1-2H3
InChIKeyGDEBNBQMUIKIFW-UHFFFAOYSA-N
MW254.46 g/mol
LogP3.80
Rot. Bonds10

About (1-decyl-3-methylpyrrolidin-2-yl)methanamine

(1-decyl-3-methylpyrrolidin-2-yl)methanamine (PubChem CID 102784470) has the molecular formula C16H34N2 and a molecular weight of 254.46 g/mol. Its IUPAC name is (1-decyl-3-methylpyrrolidin-2-yl)methanamine.

Molecular Properties

Compound Name(1-decyl-3-methylpyrrolidin-2-yl)methanamine
PubChem CID102784470
Molecular FormulaC16H34N2
Molecular Weight254.46 g/mol
Exact Mass254.27
IUPAC Name(1-decyl-3-methylpyrrolidin-2-yl)methanamine
SMILESCCCCCCCCCCN1CCC(C)C1CN
InChIInChI=1S/C16H34N2/c1-3-4-5-6-7-8-9-10-12-18-13-11-15(2)16(18)14-17/h15-16H,3-14,17H2,1-2H3
InChIKeyGDEBNBQMUIKIFW-UHFFFAOYSA-N
XLogP3.80
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.46
LogP ≤ 53.80
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

(1-dodecyl-3-methylpyrrolidin-2-yl)methanamine
CID 102784984
(1-decyl-3-ethylpiperidin-2-yl)methanamine
CID 82736476
(1-hept-6-enyl-3-methylpiperidin-2-yl)methanamine
CID 107008015
(1-nonylpyrrolidin-2-yl)methanamine
CID 19780174
1-heptyl-2-(hydroxymethyl)piperidine-3,4-diol
CID 123705169
(2R,3R,4R)-2-(hydroxymethyl)-1-octylpiperidine-3,4-diol
CID 15946960
1-butyl-2,3-dimethylpyrrolidine
CID 123853646
(1-dodecylpiperidin-2-yl)methanamine
CID 63405140
[3-methyl-1-(2-methylbutyl)pyrrolidin-2-yl]methanamine
CID 102784417
(1,3-dimethylpyrrolidin-2-yl)methanamine
CID 58841122
(4-methoxy-1-nonylpiperidin-2-yl)methanamine
CID 112622577
(6-methyl-1-octylpiperidin-3-yl)methanamine
CID 55211233

Frequently Asked Questions

What is the IUPAC name of (1-decyl-3-methylpyrrolidin-2-yl)methanamine?
The IUPAC name of (1-decyl-3-methylpyrrolidin-2-yl)methanamine (CID 102784470) is (1-decyl-3-methylpyrrolidin-2-yl)methanamine.
What is the SMILES notation for (1-decyl-3-methylpyrrolidin-2-yl)methanamine?
The canonical SMILES for (1-decyl-3-methylpyrrolidin-2-yl)methanamine is CCCCCCCCCCN1CCC(C)C1CN.
What is the InChIKey of (1-decyl-3-methylpyrrolidin-2-yl)methanamine?
The InChIKey is GDEBNBQMUIKIFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34N2/c1-3-4-5-6-7-8-9-10-12-18-13-11-15(2)16(18)14-17/h15-16H,3-14,17H2,1-2H3.
What are the key properties of (1-decyl-3-methylpyrrolidin-2-yl)methanamine?
(1-decyl-3-methylpyrrolidin-2-yl)methanamine has a molecular weight of 254.46 g/mol, XLogP of 3.80, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1-decyl-3-methylpyrrolidin-2-yl)methanamine is sourced from PubChem (CID 102784470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).