2-N-(9-tricyclo[4.3.1.13,8]undecanyl)bicyclo[2.2.2]octane-2,5-diamine

C19H32N2 — CID 166649485

IUPAC2-N-(9-tricyclo[4.3.1.13,8]undecanyl)bicyclo[2.2.2]octane-2,5-diamine
SMILESNC1CC2CCC1CC2NC1C2CC3CCC(C2)CC1C3
InChIInChI=1S/C19H32N2/c20-17-9-14-4-3-13(17)10-18(14)21-19-15-5-11-1-2-12(7-15)8-16(19)6-11/h11-19,21H,1-10,20H2
InChIKeyHSYRDSBSQRYNTL-UHFFFAOYSA-N
MW288.48 g/mol
LogP3.31
Rot. Bonds2

About 2-N-(9-tricyclo[4.3.1.13,8]undecanyl)bicyclo[2.2.2]octane-2,5-diamine

2-N-(9-tricyclo[4.3.1.13,8]undecanyl)bicyclo[2.2.2]octane-2,5-diamine (PubChem CID 166649485) has the molecular formula C19H32N2 and a molecular weight of 288.48 g/mol. Its IUPAC name is 2-N-(9-tricyclo[4.3.1.13,8]undecanyl)bicyclo[2.2.2]octane-2,5-diamine.

Molecular Properties

Compound Name2-N-(9-tricyclo[4.3.1.13,8]undecanyl)bicyclo[2.2.2]octane-2,5-diamine
PubChem CID166649485
Molecular FormulaC19H32N2
Molecular Weight288.48 g/mol
Exact Mass288.26
IUPAC Name2-N-(9-tricyclo[4.3.1.13,8]undecanyl)bicyclo[2.2.2]octane-2,5-diamine
SMILESNC1CC2CCC1CC2NC1C2CC3CCC(C2)CC1C3
InChIInChI=1S/C19H32N2/c20-17-9-14-4-3-13(17)10-18(14)21-19-15-5-11-1-2-12(7-15)8-16(19)6-11/h11-19,21H,1-10,20H2
InChIKeyHSYRDSBSQRYNTL-UHFFFAOYSA-N
XLogP3.31
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.48
LogP ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2-N-(9-tricyclo[4.3.1.13,8]undecanyl)bicyclo[2.2.2]octane-2,5-diamine with MolForge

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Related Compounds

(2S)-bicyclo[2.2.1]heptan-2-amine
CID 12720689
bicyclo[2.2.1]heptan-2-amine;platinum(2+)
CID 21144668
(2S)-bicyclo[2.2.1]heptan-2-amine;platinum(2+);propan-2-amine;dichloride
CID 56600530
(2S)-bicyclo[3.1.1]heptan-2-amine
CID 148819936
bicyclo[2.2.2]octan-2-amine
CID 13239288
(1S,5R,6R)-bicyclo[3.2.1]octan-6-amine
CID 14638743
[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]urea
CID 98511353
N-(3-methylcyclobutyl)bicyclo[2.2.1]heptan-2-amine
CID 115892511
tricyclo[5.3.2.03,9]dodecan-4-amine
CID 89298731
N-fluorobicyclo[2.2.1]heptan-2-amine
CID 123516667
N-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]-1-methylpiperidin-4-amine
CID 98119463
(1S,2R,4R)-N-methylbicyclo[2.2.1]heptan-2-amine;hydrochloride
CID 138991134

Frequently Asked Questions

What is the IUPAC name of 2-N-(9-tricyclo[4.3.1.13,8]undecanyl)bicyclo[2.2.2]octane-2,5-diamine?
The IUPAC name of 2-N-(9-tricyclo[4.3.1.13,8]undecanyl)bicyclo[2.2.2]octane-2,5-diamine (CID 166649485) is 2-N-(9-tricyclo[4.3.1.13,8]undecanyl)bicyclo[2.2.2]octane-2,5-diamine.
What is the SMILES notation for 2-N-(9-tricyclo[4.3.1.13,8]undecanyl)bicyclo[2.2.2]octane-2,5-diamine?
The canonical SMILES for 2-N-(9-tricyclo[4.3.1.13,8]undecanyl)bicyclo[2.2.2]octane-2,5-diamine is NC1CC2CCC1CC2NC1C2CC3CCC(C2)CC1C3.
What is the InChIKey of 2-N-(9-tricyclo[4.3.1.13,8]undecanyl)bicyclo[2.2.2]octane-2,5-diamine?
The InChIKey is HSYRDSBSQRYNTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N2/c20-17-9-14-4-3-13(17)10-18(14)21-19-15-5-11-1-2-12(7-15)8-16(19)6-11/h11-19,21H,1-10,20H2.
What are the key properties of 2-N-(9-tricyclo[4.3.1.13,8]undecanyl)bicyclo[2.2.2]octane-2,5-diamine?
2-N-(9-tricyclo[4.3.1.13,8]undecanyl)bicyclo[2.2.2]octane-2,5-diamine has a molecular weight of 288.48 g/mol, XLogP of 3.31, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(9-tricyclo[4.3.1.13,8]undecanyl)bicyclo[2.2.2]octane-2,5-diamine is sourced from PubChem (CID 166649485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).