3-cycloundecylcyclooctan-1-amine

C19H37N — CID 166997696

IUPAC3-cycloundecylcyclooctan-1-amine
SMILESNC1CCCCCC(C2CCCCCCCCCC2)C1
InChIInChI=1S/C19H37N/c20-19-15-11-7-10-14-18(16-19)17-12-8-5-3-1-2-4-6-9-13-17/h17-19H,1-16,20H2
InChIKeyXHATURKMWGSGTK-UHFFFAOYSA-N
MW279.51 g/mol
LogP5.81
Rot. Bonds1

About 3-cycloundecylcyclooctan-1-amine

3-cycloundecylcyclooctan-1-amine (PubChem CID 166997696) has the molecular formula C19H37N and a molecular weight of 279.51 g/mol. Its IUPAC name is 3-cycloundecylcyclooctan-1-amine.

Molecular Properties

Compound Name3-cycloundecylcyclooctan-1-amine
PubChem CID166997696
Molecular FormulaC19H37N
Molecular Weight279.51 g/mol
Exact Mass279.29
IUPAC Name3-cycloundecylcyclooctan-1-amine
SMILESNC1CCCCCC(C2CCCCCCCCCC2)C1
InChIInChI=1S/C19H37N/c20-19-15-11-7-10-14-18(16-19)17-12-8-5-3-1-2-4-6-9-13-17/h17-19H,1-16,20H2
InChIKeyXHATURKMWGSGTK-UHFFFAOYSA-N
XLogP5.81
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500279.51
LogP ≤ 55.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-cycloheptylcyclohexan-1-amine
CID 82924474
(3R,13S)-bicyclo[11.1.0]tetradecan-3-amine
CID 155419218
(3aS,5S,7aS)-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-5-amine
CID 55281345
(3aR,5S,7aS)-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-5-amine
CID 55281501
(3aS,5R,7aR)-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-5-amine
CID 95396709
bicyclo[11.1.0]tetradecane
CID 90981498
bicyclo[21.1.0]tetracosane
CID 123789596
cyclohexylcycloheptane
CID 524589
cyclononylcycloicosane
CID 123187062
(4aR)-2,3,4,4a,5,6,7,8,9,9a-decahydro-1H-benzo[7]annulene
CID 58427678
1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-2,3-diamine
CID 18958568
(2S,3S,4aR,8aR)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-2,3-diamine
CID 102461320

Frequently Asked Questions

What is the IUPAC name of 3-cycloundecylcyclooctan-1-amine?
The IUPAC name of 3-cycloundecylcyclooctan-1-amine (CID 166997696) is 3-cycloundecylcyclooctan-1-amine.
What is the SMILES notation for 3-cycloundecylcyclooctan-1-amine?
The canonical SMILES for 3-cycloundecylcyclooctan-1-amine is NC1CCCCCC(C2CCCCCCCCCC2)C1.
What is the InChIKey of 3-cycloundecylcyclooctan-1-amine?
The InChIKey is XHATURKMWGSGTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H37N/c20-19-15-11-7-10-14-18(16-19)17-12-8-5-3-1-2-4-6-9-13-17/h17-19H,1-16,20H2.
What are the key properties of 3-cycloundecylcyclooctan-1-amine?
3-cycloundecylcyclooctan-1-amine has a molecular weight of 279.51 g/mol, XLogP of 5.81, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cycloundecylcyclooctan-1-amine is sourced from PubChem (CID 166997696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).