[4-tert-butyl-1-(2-ethylbutyl)cyclohexyl]methanamine

C17H35N — CID 82930941

IUPAC[4-tert-butyl-1-(2-ethylbutyl)cyclohexyl]methanamine
SMILESCCC(CC)CC1(CN)CCC(C(C)(C)C)CC1
InChIInChI=1S/C17H35N/c1-6-14(7-2)12-17(13-18)10-8-15(9-11-17)16(3,4)5/h14-15H,6-13,18H2,1-5H3
InChIKeyONQGNAFYBYJJTL-UHFFFAOYSA-N
MW253.47 g/mol
LogP4.99
Rot. Bonds5

About [4-tert-butyl-1-(2-ethylbutyl)cyclohexyl]methanamine

[4-tert-butyl-1-(2-ethylbutyl)cyclohexyl]methanamine (PubChem CID 82930941) has the molecular formula C17H35N and a molecular weight of 253.47 g/mol. Its IUPAC name is [4-tert-butyl-1-(2-ethylbutyl)cyclohexyl]methanamine.

Molecular Properties

Compound Name[4-tert-butyl-1-(2-ethylbutyl)cyclohexyl]methanamine
PubChem CID82930941
Molecular FormulaC17H35N
Molecular Weight253.47 g/mol
Exact Mass253.28
IUPAC Name[4-tert-butyl-1-(2-ethylbutyl)cyclohexyl]methanamine
SMILESCCC(CC)CC1(CN)CCC(C(C)(C)C)CC1
InChIInChI=1S/C17H35N/c1-6-14(7-2)12-17(13-18)10-8-15(9-11-17)16(3,4)5/h14-15H,6-13,18H2,1-5H3
InChIKeyONQGNAFYBYJJTL-UHFFFAOYSA-N
XLogP4.99
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.47
LogP ≤ 54.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of [4-tert-butyl-1-(2-ethylbutyl)cyclohexyl]methanamine?
The IUPAC name of [4-tert-butyl-1-(2-ethylbutyl)cyclohexyl]methanamine (CID 82930941) is [4-tert-butyl-1-(2-ethylbutyl)cyclohexyl]methanamine.
What is the SMILES notation for [4-tert-butyl-1-(2-ethylbutyl)cyclohexyl]methanamine?
The canonical SMILES for [4-tert-butyl-1-(2-ethylbutyl)cyclohexyl]methanamine is CCC(CC)CC1(CN)CCC(C(C)(C)C)CC1.
What is the InChIKey of [4-tert-butyl-1-(2-ethylbutyl)cyclohexyl]methanamine?
The InChIKey is ONQGNAFYBYJJTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H35N/c1-6-14(7-2)12-17(13-18)10-8-15(9-11-17)16(3,4)5/h14-15H,6-13,18H2,1-5H3.
What are the key properties of [4-tert-butyl-1-(2-ethylbutyl)cyclohexyl]methanamine?
[4-tert-butyl-1-(2-ethylbutyl)cyclohexyl]methanamine has a molecular weight of 253.47 g/mol, XLogP of 4.99, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [4-tert-butyl-1-(2-ethylbutyl)cyclohexyl]methanamine is sourced from PubChem (CID 82930941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).