3-cyclohexyl-1,2,3,4,4a,5a,6,7,8,9,9a,9b-dodecahydrodibenzofuran-4-amine

C18H31NO — CID 118464317

IUPAC3-cyclohexyl-1,2,3,4,4a,5a,6,7,8,9,9a,9b-dodecahydrodibenzofuran-4-amine
SMILESNC1C(C2CCCCC2)CCC2C3CCCCC3OC12
InChIInChI=1S/C18H31NO/c19-17-13(12-6-2-1-3-7-12)10-11-15-14-8-4-5-9-16(14)20-18(15)17/h12-18H,1-11,19H2
InChIKeyBZDHXQCLMQZMKR-UHFFFAOYSA-N
MW277.45 g/mol
LogP3.88
Rot. Bonds1

About 3-cyclohexyl-1,2,3,4,4a,5a,6,7,8,9,9a,9b-dodecahydrodibenzofuran-4-amine

3-cyclohexyl-1,2,3,4,4a,5a,6,7,8,9,9a,9b-dodecahydrodibenzofuran-4-amine (PubChem CID 118464317) has the molecular formula C18H31NO and a molecular weight of 277.45 g/mol. Its IUPAC name is 3-cyclohexyl-1,2,3,4,4a,5a,6,7,8,9,9a,9b-dodecahydrodibenzofuran-4-amine.

Molecular Properties

Compound Name3-cyclohexyl-1,2,3,4,4a,5a,6,7,8,9,9a,9b-dodecahydrodibenzofuran-4-amine
PubChem CID118464317
Molecular FormulaC18H31NO
Molecular Weight277.45 g/mol
Exact Mass277.24
IUPAC Name3-cyclohexyl-1,2,3,4,4a,5a,6,7,8,9,9a,9b-dodecahydrodibenzofuran-4-amine
SMILESNC1C(C2CCCCC2)CCC2C3CCCCC3OC12
InChIInChI=1S/C18H31NO/c19-17-13(12-6-2-1-3-7-12)10-11-15-14-8-4-5-9-16(14)20-18(15)17/h12-18H,1-11,19H2
InChIKeyBZDHXQCLMQZMKR-UHFFFAOYSA-N
XLogP3.88
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.45
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-cyclohexyl-1,2,3,4,4a,5a,6,7,8,9,9a,9b-dodecahydrodibenzofuran-4-amine with MolForge

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Related Compounds

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CID 166043333
5-cyclohexyl-2,3,4,4a,5,6,7,8,9,9a-decahydro-1H-benzo[7]annulene
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[3-(2-cyclohexyl-1,2,3,4,4a,4b,5,6,6a,6b,7,8,9,10,10a,11a,11b,12a-octadecahydro-[1]benzofuro[2,3-a]carbazol-12-yl)cyclohexyl]methanediamine
CID 121356903
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bicyclo[6.1.0]nonan-9-amine
CID 55288804
N-(4-cyclohexylcyclohexyl)-N-[4-(9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosan-18-yl)cyclohexyl]-1,2,3,4,4a,5a,6,7,8,9,9a,9b-dodecahydrodibenzofuran-2-amine
CID 165016978
N-(1,2,3,4,4a,5a,6,7,8,9,9a,9b-dodecahydrodibenzofuran-2-yl)-N-(4-cyclohexylcyclohexyl)-9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosan-18-amine
CID 165010268
4-(2-cycloheptylcyclobutyl)cyclononan-1-amine
CID 139360587
(2S,3R)-2,3-dicyclohexyloxirane
CID 169013366
2-[8-(2,3,4,4a,4b,5,6,7,8,8a,9,9a-dodecahydro-1H-fluoren-9-yl)-1,2,3,4,4a,5,6,6a,6b,7,8,9,10,10a,11a,11b-hexadecahydronaphtho[1,2-b][1]benzofuran-5-yl]-4,6-dicyclohexyl-1,3,5-triazinane
CID 167402747

Frequently Asked Questions

What is the IUPAC name of 3-cyclohexyl-1,2,3,4,4a,5a,6,7,8,9,9a,9b-dodecahydrodibenzofuran-4-amine?
The IUPAC name of 3-cyclohexyl-1,2,3,4,4a,5a,6,7,8,9,9a,9b-dodecahydrodibenzofuran-4-amine (CID 118464317) is 3-cyclohexyl-1,2,3,4,4a,5a,6,7,8,9,9a,9b-dodecahydrodibenzofuran-4-amine.
What is the SMILES notation for 3-cyclohexyl-1,2,3,4,4a,5a,6,7,8,9,9a,9b-dodecahydrodibenzofuran-4-amine?
The canonical SMILES for 3-cyclohexyl-1,2,3,4,4a,5a,6,7,8,9,9a,9b-dodecahydrodibenzofuran-4-amine is NC1C(C2CCCCC2)CCC2C3CCCCC3OC12.
What is the InChIKey of 3-cyclohexyl-1,2,3,4,4a,5a,6,7,8,9,9a,9b-dodecahydrodibenzofuran-4-amine?
The InChIKey is BZDHXQCLMQZMKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31NO/c19-17-13(12-6-2-1-3-7-12)10-11-15-14-8-4-5-9-16(14)20-18(15)17/h12-18H,1-11,19H2.
What are the key properties of 3-cyclohexyl-1,2,3,4,4a,5a,6,7,8,9,9a,9b-dodecahydrodibenzofuran-4-amine?
3-cyclohexyl-1,2,3,4,4a,5a,6,7,8,9,9a,9b-dodecahydrodibenzofuran-4-amine has a molecular weight of 277.45 g/mol, XLogP of 3.88, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexyl-1,2,3,4,4a,5a,6,7,8,9,9a,9b-dodecahydrodibenzofuran-4-amine is sourced from PubChem (CID 118464317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).