(3R)-N,N-dimethyl-1-tetradecan-7-ylpyrrolidin-3-amine

C20H42N2 — CID 166754113

IUPAC(3R)-N,N-dimethyl-1-tetradecan-7-ylpyrrolidin-3-amine
SMILESCCCCCCCC(CCCCCC)N1CC[C@@H](N(C)C)C1
InChIInChI=1S/C20H42N2/c1-5-7-9-11-13-15-19(14-12-10-8-6-2)22-17-16-20(18-22)21(3)4/h19-20H,5-18H2,1-4H3/t19?,20-/m1/s1
InChIKeyOCEOQCYVGDCHSS-GFOWMXPYSA-N
MW310.57 g/mol
LogP5.32
Rot. Bonds13

About (3R)-N,N-dimethyl-1-tetradecan-7-ylpyrrolidin-3-amine

(3R)-N,N-dimethyl-1-tetradecan-7-ylpyrrolidin-3-amine (PubChem CID 166754113) has the molecular formula C20H42N2 and a molecular weight of 310.57 g/mol. Its IUPAC name is (3R)-N,N-dimethyl-1-tetradecan-7-ylpyrrolidin-3-amine.

Molecular Properties

Compound Name(3R)-N,N-dimethyl-1-tetradecan-7-ylpyrrolidin-3-amine
PubChem CID166754113
Molecular FormulaC20H42N2
Molecular Weight310.57 g/mol
Exact Mass310.33
IUPAC Name(3R)-N,N-dimethyl-1-tetradecan-7-ylpyrrolidin-3-amine
SMILESCCCCCCCC(CCCCCC)N1CC[C@@H](N(C)C)C1
InChIInChI=1S/C20H42N2/c1-5-7-9-11-13-15-19(14-12-10-8-6-2)22-17-16-20(18-22)21(3)4/h19-20H,5-18H2,1-4H3/t19?,20-/m1/s1
InChIKeyOCEOQCYVGDCHSS-GFOWMXPYSA-N
XLogP5.32
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds13
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500310.57
LogP ≤ 55.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-methyl-1-pentadecan-8-ylpiperidine
CID 129306753
1-pentadecan-8-ylpiperidin-4-amine
CID 134177605
1-(1-aminopentan-3-yl)-N,N-dimethylpyrrolidin-3-amine
CID 63166111
1-octadecan-4-ylaziridine
CID 87223215
1-hexan-3-yl-N,N-dimethylpiperidin-3-amine
CID 143456781
1-(1-tetradecan-7-ylpyrrolidin-3-yl)cyclopropan-1-amine
CID 155392460
4-pentadecan-8-ylthiomorpholine
CID 134320979
(3R,4R)-3-methoxy-1-pentadecan-8-ylpiperidin-4-amine
CID 134177721
(3R,4R)-4-amino-1-pentadecan-8-ylpiperidine-3-carbonitrile
CID 134267182
1-hexadecan-5-ylpiperidine
CID 175488405
(3R,4R)-3,4-difluoro-1-pentadecan-8-ylpyrrolidine
CID 166714700
1-undecan-5-ylpiperidine
CID 174506253

Frequently Asked Questions

What is the IUPAC name of (3R)-N,N-dimethyl-1-tetradecan-7-ylpyrrolidin-3-amine?
The IUPAC name of (3R)-N,N-dimethyl-1-tetradecan-7-ylpyrrolidin-3-amine (CID 166754113) is (3R)-N,N-dimethyl-1-tetradecan-7-ylpyrrolidin-3-amine.
What is the SMILES notation for (3R)-N,N-dimethyl-1-tetradecan-7-ylpyrrolidin-3-amine?
The canonical SMILES for (3R)-N,N-dimethyl-1-tetradecan-7-ylpyrrolidin-3-amine is CCCCCCCC(CCCCCC)N1CC[C@@H](N(C)C)C1.
What is the InChIKey of (3R)-N,N-dimethyl-1-tetradecan-7-ylpyrrolidin-3-amine?
The InChIKey is OCEOQCYVGDCHSS-GFOWMXPYSA-N. The full InChI is InChI=1S/C20H42N2/c1-5-7-9-11-13-15-19(14-12-10-8-6-2)22-17-16-20(18-22)21(3)4/h19-20H,5-18H2,1-4H3/t19?,20-/m1/s1.
What are the key properties of (3R)-N,N-dimethyl-1-tetradecan-7-ylpyrrolidin-3-amine?
(3R)-N,N-dimethyl-1-tetradecan-7-ylpyrrolidin-3-amine has a molecular weight of 310.57 g/mol, XLogP of 5.32, 13 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N,N-dimethyl-1-tetradecan-7-ylpyrrolidin-3-amine is sourced from PubChem (CID 166754113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).