[4-tert-butyl-1-(3-methylbutyl)cyclohexyl]methanamine

C16H33N — CID 63522154

IUPAC[4-tert-butyl-1-(3-methylbutyl)cyclohexyl]methanamine
SMILESCC(C)CCC1(CN)CCC(C(C)(C)C)CC1
InChIInChI=1S/C16H33N/c1-13(2)6-9-16(12-17)10-7-14(8-11-16)15(3,4)5/h13-14H,6-12,17H2,1-5H3
InChIKeyMHNQHHLJVHRWTR-UHFFFAOYSA-N
MW239.45 g/mol
LogP4.60
Rot. Bonds4

About [4-tert-butyl-1-(3-methylbutyl)cyclohexyl]methanamine

[4-tert-butyl-1-(3-methylbutyl)cyclohexyl]methanamine (PubChem CID 63522154) has the molecular formula C16H33N and a molecular weight of 239.45 g/mol. Its IUPAC name is [4-tert-butyl-1-(3-methylbutyl)cyclohexyl]methanamine.

Molecular Properties

Compound Name[4-tert-butyl-1-(3-methylbutyl)cyclohexyl]methanamine
PubChem CID63522154
Molecular FormulaC16H33N
Molecular Weight239.45 g/mol
Exact Mass239.26
IUPAC Name[4-tert-butyl-1-(3-methylbutyl)cyclohexyl]methanamine
SMILESCC(C)CCC1(CN)CCC(C(C)(C)C)CC1
InChIInChI=1S/C16H33N/c1-13(2)6-9-16(12-17)10-7-14(8-11-16)15(3,4)5/h13-14H,6-12,17H2,1-5H3
InChIKeyMHNQHHLJVHRWTR-UHFFFAOYSA-N
XLogP4.60
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.45
LogP ≤ 54.60
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-(3-methylbutyl)cyclohexyl]methanamine?
The IUPAC name of [4-tert-butyl-1-(3-methylbutyl)cyclohexyl]methanamine (CID 63522154) is [4-tert-butyl-1-(3-methylbutyl)cyclohexyl]methanamine.
What is the SMILES notation for [4-tert-butyl-1-(3-methylbutyl)cyclohexyl]methanamine?
The canonical SMILES for [4-tert-butyl-1-(3-methylbutyl)cyclohexyl]methanamine is CC(C)CCC1(CN)CCC(C(C)(C)C)CC1.
What is the InChIKey of [4-tert-butyl-1-(3-methylbutyl)cyclohexyl]methanamine?
The InChIKey is MHNQHHLJVHRWTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33N/c1-13(2)6-9-16(12-17)10-7-14(8-11-16)15(3,4)5/h13-14H,6-12,17H2,1-5H3.
What are the key properties of [4-tert-butyl-1-(3-methylbutyl)cyclohexyl]methanamine?
[4-tert-butyl-1-(3-methylbutyl)cyclohexyl]methanamine has a molecular weight of 239.45 g/mol, XLogP of 4.60, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [4-tert-butyl-1-(3-methylbutyl)cyclohexyl]methanamine is sourced from PubChem (CID 63522154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).