2-tert-butyl-N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]cyclohexan-1-amine

C16H31NO2 — CID 107386074

IUPAC2-tert-butyl-N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]cyclohexan-1-amine
SMILESCC1(C)OCC(CNC2CCCCC2C(C)(C)C)O1
InChIInChI=1S/C16H31NO2/c1-15(2,3)13-8-6-7-9-14(13)17-10-12-11-18-16(4,5)19-12/h12-14,17H,6-11H2,1-5H3
InChIKeyJLPBRZPQWUAAFQ-UHFFFAOYSA-N
MW269.43 g/mol
LogP3.33
Rot. Bonds3

About 2-tert-butyl-N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]cyclohexan-1-amine

2-tert-butyl-N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]cyclohexan-1-amine (PubChem CID 107386074) has the molecular formula C16H31NO2 and a molecular weight of 269.43 g/mol. Its IUPAC name is 2-tert-butyl-N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]cyclohexan-1-amine.

Molecular Properties

Compound Name2-tert-butyl-N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]cyclohexan-1-amine
PubChem CID107386074
Molecular FormulaC16H31NO2
Molecular Weight269.43 g/mol
Exact Mass269.24
IUPAC Name2-tert-butyl-N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]cyclohexan-1-amine
SMILESCC1(C)OCC(CNC2CCCCC2C(C)(C)C)O1
InChIInChI=1S/C16H31NO2/c1-15(2,3)13-8-6-7-9-14(13)17-10-12-11-18-16(4,5)19-12/h12-14,17H,6-11H2,1-5H3
InChIKeyJLPBRZPQWUAAFQ-UHFFFAOYSA-N
XLogP3.33
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.43
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]cyclohexan-1-amine?
The IUPAC name of 2-tert-butyl-N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]cyclohexan-1-amine (CID 107386074) is 2-tert-butyl-N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]cyclohexan-1-amine.
What is the SMILES notation for 2-tert-butyl-N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]cyclohexan-1-amine?
The canonical SMILES for 2-tert-butyl-N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]cyclohexan-1-amine is CC1(C)OCC(CNC2CCCCC2C(C)(C)C)O1.
What is the InChIKey of 2-tert-butyl-N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]cyclohexan-1-amine?
The InChIKey is JLPBRZPQWUAAFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31NO2/c1-15(2,3)13-8-6-7-9-14(13)17-10-12-11-18-16(4,5)19-12/h12-14,17H,6-11H2,1-5H3.
What are the key properties of 2-tert-butyl-N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]cyclohexan-1-amine?
2-tert-butyl-N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]cyclohexan-1-amine has a molecular weight of 269.43 g/mol, XLogP of 3.33, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]cyclohexan-1-amine is sourced from PubChem (CID 107386074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).