tricyclo[6.6.4.01,3]octadecan-5-amine

C18H33N — CID 155119532

IUPACtricyclo[6.6.4.01,3]octadecan-5-amine
SMILESNC1CCC2CCCCCCC3(CCCC2)CC3C1
InChIInChI=1S/C18H33N/c19-17-10-9-15-7-3-1-2-5-11-18(12-6-4-8-15)14-16(18)13-17/h15-17H,1-14,19H2
InChIKeyDPPZJJJJBLSMJK-UHFFFAOYSA-N
MW263.47 g/mol
LogP5.03
Rot. Bonds

About tricyclo[6.6.4.01,3]octadecan-5-amine

tricyclo[6.6.4.01,3]octadecan-5-amine (PubChem CID 155119532) has the molecular formula C18H33N and a molecular weight of 263.47 g/mol. Its IUPAC name is tricyclo[6.6.4.01,3]octadecan-5-amine.

Molecular Properties

Compound Nametricyclo[6.6.4.01,3]octadecan-5-amine
PubChem CID155119532
Molecular FormulaC18H33N
Molecular Weight263.47 g/mol
Exact Mass263.26
IUPAC Nametricyclo[6.6.4.01,3]octadecan-5-amine
SMILESNC1CCC2CCCCCCC3(CCCC2)CC3C1
InChIInChI=1S/C18H33N/c19-17-10-9-15-7-3-1-2-5-11-18(12-6-4-8-15)14-16(18)13-17/h15-17H,1-14,19H2
InChIKeyDPPZJJJJBLSMJK-UHFFFAOYSA-N
XLogP5.03
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500263.47
LogP ≤ 55.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

spiro[bicyclo[2.2.1]heptane-2,1'-cycloheptane]
CID 86249645
bicyclo[4.4.2]dodecane;cyclooctane
CID 158063107
bicyclo[112.2.2]octadecahectane
CID 91239791
spiro[5.6]dodecan-12-amine
CID 15021866
spiro[bicyclo[2.2.1]heptane-2,1'-cyclobutane]
CID 22273219
1-cyclododecyl-2-cyclohexyl-3-cyclopentylcyclopentadecane-1,2,3-triamine
CID 151791002
(8R)-bicyclo[6.4.1]tridecan-1-amine
CID 146325535
(8R)-spiro[2.5]octan-8-amine
CID 89147380
(8S)-spiro[2.5]octan-8-amine
CID 89147381
bicyclo[2.2.1]heptane;bicyclo[3.1.1]heptane;bicyclo[2.1.1]hexane;bicyclo[3.2.1]octane;bicyclo[4.1.1]octane;bicyclo[1.1.1]pentane;spiro[4.5]decane;spiro[5.5]undecane
CID 159153074
bicyclo[5.3.1]undecan-1-ol
CID 14867023
(1S,3S,5R)-3-aminobicyclo[3.3.1]nonan-1-ol
CID 99984864

Frequently Asked Questions

What is the IUPAC name of tricyclo[6.6.4.01,3]octadecan-5-amine?
The IUPAC name of tricyclo[6.6.4.01,3]octadecan-5-amine (CID 155119532) is tricyclo[6.6.4.01,3]octadecan-5-amine.
What is the SMILES notation for tricyclo[6.6.4.01,3]octadecan-5-amine?
The canonical SMILES for tricyclo[6.6.4.01,3]octadecan-5-amine is NC1CCC2CCCCCCC3(CCCC2)CC3C1.
What is the InChIKey of tricyclo[6.6.4.01,3]octadecan-5-amine?
The InChIKey is DPPZJJJJBLSMJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H33N/c19-17-10-9-15-7-3-1-2-5-11-18(12-6-4-8-15)14-16(18)13-17/h15-17H,1-14,19H2.
What are the key properties of tricyclo[6.6.4.01,3]octadecan-5-amine?
tricyclo[6.6.4.01,3]octadecan-5-amine has a molecular weight of 263.47 g/mol, XLogP of 5.03, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tricyclo[6.6.4.01,3]octadecan-5-amine is sourced from PubChem (CID 155119532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).