5-butyltricyclo[4.3.2.03,8]undecan-5-amine

C15H27N — CID 129102199

IUPAC5-butyltricyclo[4.3.2.03,8]undecan-5-amine
SMILESCCCCC1(N)CC2CC3CCC1CC2C3
InChIInChI=1S/C15H27N/c1-2-3-6-15(16)10-13-8-11-4-5-14(15)9-12(13)7-11/h11-14H,2-10,16H2,1H3
InChIKeyCKGNOPZEQVPGAM-UHFFFAOYSA-N
MW221.39 g/mol
LogP3.72
Rot. Bonds3

About 5-butyltricyclo[4.3.2.03,8]undecan-5-amine

5-butyltricyclo[4.3.2.03,8]undecan-5-amine (PubChem CID 129102199) has the molecular formula C15H27N and a molecular weight of 221.39 g/mol. Its IUPAC name is 5-butyltricyclo[4.3.2.03,8]undecan-5-amine.

Molecular Properties

Compound Name5-butyltricyclo[4.3.2.03,8]undecan-5-amine
PubChem CID129102199
Molecular FormulaC15H27N
Molecular Weight221.39 g/mol
Exact Mass221.21
IUPAC Name5-butyltricyclo[4.3.2.03,8]undecan-5-amine
SMILESCCCCC1(N)CC2CC3CCC1CC2C3
InChIInChI=1S/C15H27N/c1-2-3-6-15(16)10-13-8-11-4-5-14(15)9-12(13)7-11/h11-14H,2-10,16H2,1H3
InChIKeyCKGNOPZEQVPGAM-UHFFFAOYSA-N
XLogP3.72
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.39
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-butyltricyclo[4.3.2.03,8]undecan-5-amine?
The IUPAC name of 5-butyltricyclo[4.3.2.03,8]undecan-5-amine (CID 129102199) is 5-butyltricyclo[4.3.2.03,8]undecan-5-amine.
What is the SMILES notation for 5-butyltricyclo[4.3.2.03,8]undecan-5-amine?
The canonical SMILES for 5-butyltricyclo[4.3.2.03,8]undecan-5-amine is CCCCC1(N)CC2CC3CCC1CC2C3.
What is the InChIKey of 5-butyltricyclo[4.3.2.03,8]undecan-5-amine?
The InChIKey is CKGNOPZEQVPGAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N/c1-2-3-6-15(16)10-13-8-11-4-5-14(15)9-12(13)7-11/h11-14H,2-10,16H2,1H3.
What are the key properties of 5-butyltricyclo[4.3.2.03,8]undecan-5-amine?
5-butyltricyclo[4.3.2.03,8]undecan-5-amine has a molecular weight of 221.39 g/mol, XLogP of 3.72, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-butyltricyclo[4.3.2.03,8]undecan-5-amine is sourced from PubChem (CID 129102199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).