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

C16H32N2O — CID 43541945

IUPAC[4-tert-butyl-1-(3-methylmorpholin-4-yl)cyclohexyl]methanamine
SMILESCC1COCCN1C1(CN)CCC(C(C)(C)C)CC1
InChIInChI=1S/C16H32N2O/c1-13-11-19-10-9-18(13)16(12-17)7-5-14(6-8-16)15(2,3)4/h13-14H,5-12,17H2,1-4H3
InChIKeyWIIXEVROVHFCPF-UHFFFAOYSA-N
MW268.44 g/mol
LogP2.64
Rot. Bonds2

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

[4-tert-butyl-1-(3-methylmorpholin-4-yl)cyclohexyl]methanamine (PubChem CID 43541945) has the molecular formula C16H32N2O and a molecular weight of 268.44 g/mol. Its IUPAC name is [4-tert-butyl-1-(3-methylmorpholin-4-yl)cyclohexyl]methanamine.

Molecular Properties

Compound Name[4-tert-butyl-1-(3-methylmorpholin-4-yl)cyclohexyl]methanamine
PubChem CID43541945
Molecular FormulaC16H32N2O
Molecular Weight268.44 g/mol
Exact Mass268.25
IUPAC Name[4-tert-butyl-1-(3-methylmorpholin-4-yl)cyclohexyl]methanamine
SMILESCC1COCCN1C1(CN)CCC(C(C)(C)C)CC1
InChIInChI=1S/C16H32N2O/c1-13-11-19-10-9-18(13)16(12-17)7-5-14(6-8-16)15(2,3)4/h13-14H,5-12,17H2,1-4H3
InChIKeyWIIXEVROVHFCPF-UHFFFAOYSA-N
XLogP2.64
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.44
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [4-tert-butyl-1-(3-methylmorpholin-4-yl)cyclohexyl]methanamine?
The IUPAC name of [4-tert-butyl-1-(3-methylmorpholin-4-yl)cyclohexyl]methanamine (CID 43541945) is [4-tert-butyl-1-(3-methylmorpholin-4-yl)cyclohexyl]methanamine.
What is the SMILES notation for [4-tert-butyl-1-(3-methylmorpholin-4-yl)cyclohexyl]methanamine?
The canonical SMILES for [4-tert-butyl-1-(3-methylmorpholin-4-yl)cyclohexyl]methanamine is CC1COCCN1C1(CN)CCC(C(C)(C)C)CC1.
What is the InChIKey of [4-tert-butyl-1-(3-methylmorpholin-4-yl)cyclohexyl]methanamine?
The InChIKey is WIIXEVROVHFCPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2O/c1-13-11-19-10-9-18(13)16(12-17)7-5-14(6-8-16)15(2,3)4/h13-14H,5-12,17H2,1-4H3.
What are the key properties of [4-tert-butyl-1-(3-methylmorpholin-4-yl)cyclohexyl]methanamine?
[4-tert-butyl-1-(3-methylmorpholin-4-yl)cyclohexyl]methanamine has a molecular weight of 268.44 g/mol, XLogP of 2.64, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-tert-butyl-1-(3-methylmorpholin-4-yl)cyclohexyl]methanamine is sourced from PubChem (CID 43541945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).