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

C16H33NO — CID 55192678

IUPAC[4-tert-butyl-1-(3-methylbutoxy)cyclohexyl]methanamine
SMILESCC(C)CCOC1(CN)CCC(C(C)(C)C)CC1
InChIInChI=1S/C16H33NO/c1-13(2)8-11-18-16(12-17)9-6-14(7-10-16)15(3,4)5/h13-14H,6-12,17H2,1-5H3
InChIKeyVJEFXPAAOJMABN-UHFFFAOYSA-N
MW255.45 g/mol
LogP3.98
Rot. Bonds5

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

[4-tert-butyl-1-(3-methylbutoxy)cyclohexyl]methanamine (PubChem CID 55192678) has the molecular formula C16H33NO and a molecular weight of 255.45 g/mol. Its IUPAC name is [4-tert-butyl-1-(3-methylbutoxy)cyclohexyl]methanamine.

Molecular Properties

Compound Name[4-tert-butyl-1-(3-methylbutoxy)cyclohexyl]methanamine
PubChem CID55192678
Molecular FormulaC16H33NO
Molecular Weight255.45 g/mol
Exact Mass255.26
IUPAC Name[4-tert-butyl-1-(3-methylbutoxy)cyclohexyl]methanamine
SMILESCC(C)CCOC1(CN)CCC(C(C)(C)C)CC1
InChIInChI=1S/C16H33NO/c1-13(2)8-11-18-16(12-17)9-6-14(7-10-16)15(3,4)5/h13-14H,6-12,17H2,1-5H3
InChIKeyVJEFXPAAOJMABN-UHFFFAOYSA-N
XLogP3.98
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.45
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [4-tert-butyl-1-(3-methylbutoxy)cyclohexyl]methanamine?
The IUPAC name of [4-tert-butyl-1-(3-methylbutoxy)cyclohexyl]methanamine (CID 55192678) is [4-tert-butyl-1-(3-methylbutoxy)cyclohexyl]methanamine.
What is the SMILES notation for [4-tert-butyl-1-(3-methylbutoxy)cyclohexyl]methanamine?
The canonical SMILES for [4-tert-butyl-1-(3-methylbutoxy)cyclohexyl]methanamine is CC(C)CCOC1(CN)CCC(C(C)(C)C)CC1.
What is the InChIKey of [4-tert-butyl-1-(3-methylbutoxy)cyclohexyl]methanamine?
The InChIKey is VJEFXPAAOJMABN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33NO/c1-13(2)8-11-18-16(12-17)9-6-14(7-10-16)15(3,4)5/h13-14H,6-12,17H2,1-5H3.
What are the key properties of [4-tert-butyl-1-(3-methylbutoxy)cyclohexyl]methanamine?
[4-tert-butyl-1-(3-methylbutoxy)cyclohexyl]methanamine has a molecular weight of 255.45 g/mol, XLogP of 3.98, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-tert-butyl-1-(3-methylbutoxy)cyclohexyl]methanamine is sourced from PubChem (CID 55192678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).