pentacyclo[6.5.1.13,6.02,7.09,13]pentadecane-4,12-diamine

C15H24N2 — CID 139623420

IUPACpentacyclo[6.5.1.13,6.02,7.09,13]pentadecane-4,12-diamine
SMILESNC1CC2CC1C1C3CC(C4CCC(N)C43)C21
InChIInChI=1S/C15H24N2/c16-11-2-1-7-8-5-10(14(7)11)15-9-3-6(13(8)15)4-12(9)17/h6-15H,1-5,16-17H2
InChIKeyMJLDZOSDNQWIJL-UHFFFAOYSA-N
MW232.37 g/mol
LogP1.59
Rot. Bonds

About pentacyclo[6.5.1.13,6.02,7.09,13]pentadecane-4,12-diamine

pentacyclo[6.5.1.13,6.02,7.09,13]pentadecane-4,12-diamine (PubChem CID 139623420) has the molecular formula C15H24N2 and a molecular weight of 232.37 g/mol. Its IUPAC name is pentacyclo[6.5.1.13,6.02,7.09,13]pentadecane-4,12-diamine.

Molecular Properties

Compound Namepentacyclo[6.5.1.13,6.02,7.09,13]pentadecane-4,12-diamine
PubChem CID139623420
Molecular FormulaC15H24N2
Molecular Weight232.37 g/mol
Exact Mass232.19
IUPAC Namepentacyclo[6.5.1.13,6.02,7.09,13]pentadecane-4,12-diamine
SMILESNC1CC2CC1C1C3CC(C4CCC(N)C43)C21
InChIInChI=1S/C15H24N2/c16-11-2-1-7-8-5-10(14(7)11)15-9-3-6(13(8)15)4-12(9)17/h6-15H,1-5,16-17H2
InChIKeyMJLDZOSDNQWIJL-UHFFFAOYSA-N
XLogP1.59
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.37
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyclooctane_1', 'substructure': 'N/A'}

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Related Compounds

hexacyclo[9.2.1.02,7.03,5.04,8.09,13]tetradecan-10-amine
CID 134863739
(1S,3R,4R,5R,7S,8S,9S,10S,12R)-pentacyclo[5.4.1.03,10.04,12.05,9]dodecan-8-ol
CID 131037378
(1R,2S,4R,7R)-7-fluorobicyclo[2.2.1]heptan-2-amine
CID 124709518
(6R)-pentacyclo[5.4.0.02,6.03,5.08,10]undecane
CID 163852923
pentacyclo[6.4.1.02,6.03,13.05,11]tridecane
CID 163947804
pentacyclo[7.4.1.02,8.03,6.010,13]tetradecane
CID 90749400
heptacyclo[12.2.1.110,13.02,5.03,16.06,9.08,11]octadecane
CID 59938675
tetracyclo[4.4.0.02,7.03,8]decane
CID 146782655
(3R,6R,7S,10S)-tetracyclo[5.3.0.02,6.03,10]decane
CID 124525163
pentacyclo[6.4.0.02,7.03,11.05,10]dodecane
CID 90708847
(1R,2R,4R,7S)-2-aminobicyclo[2.2.1]heptan-7-ol
CID 98069750
(3S,3aR,4R,7S,7aR)-3,7-dimethyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-4-amine
CID 166959719

Frequently Asked Questions

What is the IUPAC name of pentacyclo[6.5.1.13,6.02,7.09,13]pentadecane-4,12-diamine?
The IUPAC name of pentacyclo[6.5.1.13,6.02,7.09,13]pentadecane-4,12-diamine (CID 139623420) is pentacyclo[6.5.1.13,6.02,7.09,13]pentadecane-4,12-diamine.
What is the SMILES notation for pentacyclo[6.5.1.13,6.02,7.09,13]pentadecane-4,12-diamine?
The canonical SMILES for pentacyclo[6.5.1.13,6.02,7.09,13]pentadecane-4,12-diamine is NC1CC2CC1C1C3CC(C4CCC(N)C43)C21.
What is the InChIKey of pentacyclo[6.5.1.13,6.02,7.09,13]pentadecane-4,12-diamine?
The InChIKey is MJLDZOSDNQWIJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2/c16-11-2-1-7-8-5-10(14(7)11)15-9-3-6(13(8)15)4-12(9)17/h6-15H,1-5,16-17H2.
What are the key properties of pentacyclo[6.5.1.13,6.02,7.09,13]pentadecane-4,12-diamine?
pentacyclo[6.5.1.13,6.02,7.09,13]pentadecane-4,12-diamine has a molecular weight of 232.37 g/mol, XLogP of 1.59, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for pentacyclo[6.5.1.13,6.02,7.09,13]pentadecane-4,12-diamine is sourced from PubChem (CID 139623420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).