2-(2-bicyclo[4.2.0]octanyl)-4-cycloheptyl-3-cyclohexyl-N-(cyclohexylmethyl)cyclobutan-1-amine

C32H55N — CID 139528193

IUPAC2-(2-bicyclo[4.2.0]octanyl)-4-cycloheptyl-3-cyclohexyl-N-(cyclohexylmethyl)cyclobutan-1-amine
SMILESC1CCC(CNC2C(C3CCCCCC3)C(C3CCCCC3)C2C2CCCC3CCC32)CC1
InChIInChI=1S/C32H55N/c1-2-8-17-26(16-7-1)30-29(25-14-9-4-10-15-25)31(28-19-11-18-24-20-21-27(24)28)32(30)33-22-23-12-5-3-6-13-23/h23-33H,1-22H2
InChIKeyZVCYCXIEPOFIAD-UHFFFAOYSA-N
MW453.80 g/mol
LogP8.76
Rot. Bonds6

About 2-(2-bicyclo[4.2.0]octanyl)-4-cycloheptyl-3-cyclohexyl-N-(cyclohexylmethyl)cyclobutan-1-amine

2-(2-bicyclo[4.2.0]octanyl)-4-cycloheptyl-3-cyclohexyl-N-(cyclohexylmethyl)cyclobutan-1-amine (PubChem CID 139528193) has the molecular formula C32H55N and a molecular weight of 453.80 g/mol. Its IUPAC name is 2-(2-bicyclo[4.2.0]octanyl)-4-cycloheptyl-3-cyclohexyl-N-(cyclohexylmethyl)cyclobutan-1-amine.

Molecular Properties

Compound Name2-(2-bicyclo[4.2.0]octanyl)-4-cycloheptyl-3-cyclohexyl-N-(cyclohexylmethyl)cyclobutan-1-amine
PubChem CID139528193
Molecular FormulaC32H55N
Molecular Weight453.80 g/mol
Exact Mass453.43
IUPAC Name2-(2-bicyclo[4.2.0]octanyl)-4-cycloheptyl-3-cyclohexyl-N-(cyclohexylmethyl)cyclobutan-1-amine
SMILESC1CCC(CNC2C(C3CCCCCC3)C(C3CCCCC3)C2C2CCCC3CCC32)CC1
InChIInChI=1S/C32H55N/c1-2-8-17-26(16-7-1)30-29(25-14-9-4-10-15-25)31(28-19-11-18-24-20-21-27(24)28)32(30)33-22-23-12-5-3-6-13-23/h23-33H,1-22H2
InChIKeyZVCYCXIEPOFIAD-UHFFFAOYSA-N
XLogP8.76
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500453.80
LogP ≤ 58.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 2-(2-bicyclo[4.2.0]octanyl)-4-cycloheptyl-3-cyclohexyl-N-(cyclohexylmethyl)cyclobutan-1-amine with MolForge

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Related Compounds

N-(cyclohexylmethyl)bicyclo[3.1.0]hexan-6-amine
CID 131176637
N-(cyclodecylmethyl)-2-cycloundecylcyclohexan-1-amine
CID 146209039
(1R,2S,3R,4R)-4-cyclohexyl-3-(cyclopentylmethylamino)cyclopentane-1,2-diol
CID 71693835
(8S,9R,13S)-2,3,4,5,6,7,8,9,10,11,12,13,14,15,16,17-hexadecahydro-1H-cyclopenta[a]phenanthrene
CID 145133460
nonacyclo[20.6.2.02,6.07,27.010,26.013,25.014,18.019,24.023,28]triacontane
CID 91087023
(2-cyclopropylcyclobutyl)cyclopentane
CID 54374966
5-cyclohexyl-2,3,4,4a,5,6,7,8,9,9a-decahydro-1H-benzo[7]annulene
CID 59124996
N-(cyclobutylmethyl)cycloheptanamine
CID 43298514
N-(cyclopentylmethyl)-2,6-dimethylcyclohexan-1-amine
CID 43370923
heptacyclo[12.9.6.13,11.02,13.04,9.015,23.016,20]triacontane
CID 132990526
(1R,2S,6S,7S,8S)-N-(cyclopropylmethyl)tricyclo[5.2.1.02,6]decan-8-amine
CID 98119188
N-(cyclobutylmethyl)-2-cyclopropyloxolan-3-amine
CID 103580992

Frequently Asked Questions

What is the IUPAC name of 2-(2-bicyclo[4.2.0]octanyl)-4-cycloheptyl-3-cyclohexyl-N-(cyclohexylmethyl)cyclobutan-1-amine?
The IUPAC name of 2-(2-bicyclo[4.2.0]octanyl)-4-cycloheptyl-3-cyclohexyl-N-(cyclohexylmethyl)cyclobutan-1-amine (CID 139528193) is 2-(2-bicyclo[4.2.0]octanyl)-4-cycloheptyl-3-cyclohexyl-N-(cyclohexylmethyl)cyclobutan-1-amine.
What is the SMILES notation for 2-(2-bicyclo[4.2.0]octanyl)-4-cycloheptyl-3-cyclohexyl-N-(cyclohexylmethyl)cyclobutan-1-amine?
The canonical SMILES for 2-(2-bicyclo[4.2.0]octanyl)-4-cycloheptyl-3-cyclohexyl-N-(cyclohexylmethyl)cyclobutan-1-amine is C1CCC(CNC2C(C3CCCCCC3)C(C3CCCCC3)C2C2CCCC3CCC32)CC1.
What is the InChIKey of 2-(2-bicyclo[4.2.0]octanyl)-4-cycloheptyl-3-cyclohexyl-N-(cyclohexylmethyl)cyclobutan-1-amine?
The InChIKey is ZVCYCXIEPOFIAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H55N/c1-2-8-17-26(16-7-1)30-29(25-14-9-4-10-15-25)31(28-19-11-18-24-20-21-27(24)28)32(30)33-22-23-12-5-3-6-13-23/h23-33H,1-22H2.
What are the key properties of 2-(2-bicyclo[4.2.0]octanyl)-4-cycloheptyl-3-cyclohexyl-N-(cyclohexylmethyl)cyclobutan-1-amine?
2-(2-bicyclo[4.2.0]octanyl)-4-cycloheptyl-3-cyclohexyl-N-(cyclohexylmethyl)cyclobutan-1-amine has a molecular weight of 453.80 g/mol, XLogP of 8.76, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bicyclo[4.2.0]octanyl)-4-cycloheptyl-3-cyclohexyl-N-(cyclohexylmethyl)cyclobutan-1-amine is sourced from PubChem (CID 139528193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).