(3R,13S)-bicyclo[11.1.0]tetradecan-3-amine

C14H27N — CID 155419218

IUPAC(3R,13S)-bicyclo[11.1.0]tetradecan-3-amine
SMILESN[C@@H]1CCCCCCCCC[C@H]2CC2C1
InChIInChI=1S/C14H27N/c15-14-9-7-5-3-1-2-4-6-8-12-10-13(12)11-14/h12-14H,1-11,15H2/t12-,13?,14+/m0/s1
InChIKeySTYDXFARGSXXMY-SMEJFCCLSA-N
MW209.38 g/mol
LogP3.86
Rot. Bonds

About (3R,13S)-bicyclo[11.1.0]tetradecan-3-amine

(3R,13S)-bicyclo[11.1.0]tetradecan-3-amine (PubChem CID 155419218) has the molecular formula C14H27N and a molecular weight of 209.38 g/mol. Its IUPAC name is (3R,13S)-bicyclo[11.1.0]tetradecan-3-amine.

Molecular Properties

Compound Name(3R,13S)-bicyclo[11.1.0]tetradecan-3-amine
PubChem CID155419218
Molecular FormulaC14H27N
Molecular Weight209.38 g/mol
Exact Mass209.21
IUPAC Name(3R,13S)-bicyclo[11.1.0]tetradecan-3-amine
SMILESN[C@@H]1CCCCCCCCC[C@H]2CC2C1
InChIInChI=1S/C14H27N/c15-14-9-7-5-3-1-2-4-6-8-12-10-13(12)11-14/h12-14H,1-11,15H2/t12-,13?,14+/m0/s1
InChIKeySTYDXFARGSXXMY-SMEJFCCLSA-N
XLogP3.86
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.38
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (3R,13S)-bicyclo[11.1.0]tetradecan-3-amine?
The IUPAC name of (3R,13S)-bicyclo[11.1.0]tetradecan-3-amine (CID 155419218) is (3R,13S)-bicyclo[11.1.0]tetradecan-3-amine.
What is the SMILES notation for (3R,13S)-bicyclo[11.1.0]tetradecan-3-amine?
The canonical SMILES for (3R,13S)-bicyclo[11.1.0]tetradecan-3-amine is N[C@@H]1CCCCCCCCC[C@H]2CC2C1.
What is the InChIKey of (3R,13S)-bicyclo[11.1.0]tetradecan-3-amine?
The InChIKey is STYDXFARGSXXMY-SMEJFCCLSA-N. The full InChI is InChI=1S/C14H27N/c15-14-9-7-5-3-1-2-4-6-8-12-10-13(12)11-14/h12-14H,1-11,15H2/t12-,13?,14+/m0/s1.
What are the key properties of (3R,13S)-bicyclo[11.1.0]tetradecan-3-amine?
(3R,13S)-bicyclo[11.1.0]tetradecan-3-amine has a molecular weight of 209.38 g/mol, XLogP of 3.86, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,13S)-bicyclo[11.1.0]tetradecan-3-amine is sourced from PubChem (CID 155419218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).