(2-ethylcyclohexyl)-(3-tricyclo[3.2.1.02,4]octanyl)methanamine

C17H29N — CID 114097365

IUPAC(2-ethylcyclohexyl)-(3-tricyclo[3.2.1.02,4]octanyl)methanamine
SMILESCCC1CCCCC1C(N)C1C2C3CCC(C3)C21
InChIInChI=1S/C17H29N/c1-2-10-5-3-4-6-13(10)17(18)16-14-11-7-8-12(9-11)15(14)16/h10-17H,2-9,18H2,1H3
InChIKeyDLNOQQJFNHOZMK-UHFFFAOYSA-N
MW247.43 g/mol
LogP3.82
Rot. Bonds3

About (2-ethylcyclohexyl)-(3-tricyclo[3.2.1.02,4]octanyl)methanamine

(2-ethylcyclohexyl)-(3-tricyclo[3.2.1.02,4]octanyl)methanamine (PubChem CID 114097365) has the molecular formula C17H29N and a molecular weight of 247.43 g/mol. Its IUPAC name is (2-ethylcyclohexyl)-(3-tricyclo[3.2.1.02,4]octanyl)methanamine.

Molecular Properties

Compound Name(2-ethylcyclohexyl)-(3-tricyclo[3.2.1.02,4]octanyl)methanamine
PubChem CID114097365
Molecular FormulaC17H29N
Molecular Weight247.43 g/mol
Exact Mass247.23
IUPAC Name(2-ethylcyclohexyl)-(3-tricyclo[3.2.1.02,4]octanyl)methanamine
SMILESCCC1CCCCC1C(N)C1C2C3CCC(C3)C21
InChIInChI=1S/C17H29N/c1-2-10-5-3-4-6-13(10)17(18)16-14-11-7-8-12(9-11)15(14)16/h10-17H,2-9,18H2,1H3
InChIKeyDLNOQQJFNHOZMK-UHFFFAOYSA-N
XLogP3.82
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.43
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

cyclopentyl-(2-ethylcyclohexyl)methanamine
CID 63861297
(2-ethylcyclohexyl)-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methanamine
CID 112680964
(2-ethylcyclohexyl)-[2-(trifluoromethyl)cyclohexyl]methanamine
CID 105151227
(2-ethylcyclohexyl)-(2-methylcyclopropyl)methanol
CID 65420824
1-(2-ethylcyclohexyl)-3-methylbutan-1-amine
CID 63863455
1-(2-ethylcyclohexyl)heptan-1-amine
CID 115862692
cis-(1R,2S)-1-ethyl-2-pentan-2-ylcyclohexane
CID 173346335
cyclopropyl-(2-ethylcyclohexyl)methanol
CID 63861825
(4-bromophenyl)-(2-ethylcyclohexyl)methanamine
CID 55251169
2-tert-butylsulfanyl-1-(2-ethylcyclohexyl)ethanamine
CID 65133043
6-bicyclo[3.1.0]hexanyl-(2-ethylcyclohexyl)methanol
CID 115801700
(2-ethylcyclohexyl)-(1-phenylcyclobutyl)methanamine
CID 63862737

Frequently Asked Questions

What is the IUPAC name of (2-ethylcyclohexyl)-(3-tricyclo[3.2.1.02,4]octanyl)methanamine?
The IUPAC name of (2-ethylcyclohexyl)-(3-tricyclo[3.2.1.02,4]octanyl)methanamine (CID 114097365) is (2-ethylcyclohexyl)-(3-tricyclo[3.2.1.02,4]octanyl)methanamine.
What is the SMILES notation for (2-ethylcyclohexyl)-(3-tricyclo[3.2.1.02,4]octanyl)methanamine?
The canonical SMILES for (2-ethylcyclohexyl)-(3-tricyclo[3.2.1.02,4]octanyl)methanamine is CCC1CCCCC1C(N)C1C2C3CCC(C3)C21.
What is the InChIKey of (2-ethylcyclohexyl)-(3-tricyclo[3.2.1.02,4]octanyl)methanamine?
The InChIKey is DLNOQQJFNHOZMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N/c1-2-10-5-3-4-6-13(10)17(18)16-14-11-7-8-12(9-11)15(14)16/h10-17H,2-9,18H2,1H3.
What are the key properties of (2-ethylcyclohexyl)-(3-tricyclo[3.2.1.02,4]octanyl)methanamine?
(2-ethylcyclohexyl)-(3-tricyclo[3.2.1.02,4]octanyl)methanamine has a molecular weight of 247.43 g/mol, XLogP of 3.82, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2-ethylcyclohexyl)-(3-tricyclo[3.2.1.02,4]octanyl)methanamine is sourced from PubChem (CID 114097365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).