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

C18H38N2 — CID 102784984

IUPAC(1-dodecyl-3-methylpyrrolidin-2-yl)methanamine
SMILESCCCCCCCCCCCCN1CCC(C)C1CN
InChIInChI=1S/C18H38N2/c1-3-4-5-6-7-8-9-10-11-12-14-20-15-13-17(2)18(20)16-19/h17-18H,3-16,19H2,1-2H3
InChIKeyHGQDHJJCAAEUIH-UHFFFAOYSA-N
MW282.52 g/mol
LogP4.58
Rot. Bonds12

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

(1-dodecyl-3-methylpyrrolidin-2-yl)methanamine (PubChem CID 102784984) has the molecular formula C18H38N2 and a molecular weight of 282.52 g/mol. Its IUPAC name is (1-dodecyl-3-methylpyrrolidin-2-yl)methanamine.

Molecular Properties

Compound Name(1-dodecyl-3-methylpyrrolidin-2-yl)methanamine
PubChem CID102784984
Molecular FormulaC18H38N2
Molecular Weight282.52 g/mol
Exact Mass282.30
IUPAC Name(1-dodecyl-3-methylpyrrolidin-2-yl)methanamine
SMILESCCCCCCCCCCCCN1CCC(C)C1CN
InChIInChI=1S/C18H38N2/c1-3-4-5-6-7-8-9-10-11-12-14-20-15-13-17(2)18(20)16-19/h17-18H,3-16,19H2,1-2H3
InChIKeyHGQDHJJCAAEUIH-UHFFFAOYSA-N
XLogP4.58
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.52
LogP ≤ 54.58
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-decyl-3-methylpyrrolidin-2-yl)methanamine
CID 102784470
(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
(2R,3R,4R)-2-(hydroxymethyl)-1-octylpiperidine-3,4-diol
CID 15946960
1-heptyl-2-(hydroxymethyl)piperidine-3,4-diol
CID 123705169
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-dodecyl-3-methylpyrrolidin-2-yl)methanamine?
The IUPAC name of (1-dodecyl-3-methylpyrrolidin-2-yl)methanamine (CID 102784984) is (1-dodecyl-3-methylpyrrolidin-2-yl)methanamine.
What is the SMILES notation for (1-dodecyl-3-methylpyrrolidin-2-yl)methanamine?
The canonical SMILES for (1-dodecyl-3-methylpyrrolidin-2-yl)methanamine is CCCCCCCCCCCCN1CCC(C)C1CN.
What is the InChIKey of (1-dodecyl-3-methylpyrrolidin-2-yl)methanamine?
The InChIKey is HGQDHJJCAAEUIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H38N2/c1-3-4-5-6-7-8-9-10-11-12-14-20-15-13-17(2)18(20)16-19/h17-18H,3-16,19H2,1-2H3.
What are the key properties of (1-dodecyl-3-methylpyrrolidin-2-yl)methanamine?
(1-dodecyl-3-methylpyrrolidin-2-yl)methanamine has a molecular weight of 282.52 g/mol, XLogP of 4.58, 12 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1-dodecyl-3-methylpyrrolidin-2-yl)methanamine is sourced from PubChem (CID 102784984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).