1-[[tert-butyl(methyl)amino]methyl]cyclohexan-1-amine

C12H26N2 — CID 130979178

IUPAC1-[[tert-butyl(methyl)amino]methyl]cyclohexan-1-amine
SMILESCN(CC1(N)CCCCC1)C(C)(C)C
InChIInChI=1S/C12H26N2/c1-11(2,3)14(4)10-12(13)8-6-5-7-9-12/h5-10,13H2,1-4H3
InChIKeyWDFJMTQNRYDXEE-UHFFFAOYSA-N
MW198.35 g/mol
LogP2.38
Rot. Bonds2

About 1-[[tert-butyl(methyl)amino]methyl]cyclohexan-1-amine

1-[[tert-butyl(methyl)amino]methyl]cyclohexan-1-amine (PubChem CID 130979178) has the molecular formula C12H26N2 and a molecular weight of 198.35 g/mol. Its IUPAC name is 1-[[tert-butyl(methyl)amino]methyl]cyclohexan-1-amine.

Molecular Properties

Compound Name1-[[tert-butyl(methyl)amino]methyl]cyclohexan-1-amine
PubChem CID130979178
Molecular FormulaC12H26N2
Molecular Weight198.35 g/mol
Exact Mass198.21
IUPAC Name1-[[tert-butyl(methyl)amino]methyl]cyclohexan-1-amine
SMILESCN(CC1(N)CCCCC1)C(C)(C)C
InChIInChI=1S/C12H26N2/c1-11(2,3)14(4)10-12(13)8-6-5-7-9-12/h5-10,13H2,1-4H3
InChIKeyWDFJMTQNRYDXEE-UHFFFAOYSA-N
XLogP2.38
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.35
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[[tert-butyl(methyl)amino]methyl]cyclohexan-1-amine?
The IUPAC name of 1-[[tert-butyl(methyl)amino]methyl]cyclohexan-1-amine (CID 130979178) is 1-[[tert-butyl(methyl)amino]methyl]cyclohexan-1-amine.
What is the SMILES notation for 1-[[tert-butyl(methyl)amino]methyl]cyclohexan-1-amine?
The canonical SMILES for 1-[[tert-butyl(methyl)amino]methyl]cyclohexan-1-amine is CN(CC1(N)CCCCC1)C(C)(C)C.
What is the InChIKey of 1-[[tert-butyl(methyl)amino]methyl]cyclohexan-1-amine?
The InChIKey is WDFJMTQNRYDXEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2/c1-11(2,3)14(4)10-12(13)8-6-5-7-9-12/h5-10,13H2,1-4H3.
What are the key properties of 1-[[tert-butyl(methyl)amino]methyl]cyclohexan-1-amine?
1-[[tert-butyl(methyl)amino]methyl]cyclohexan-1-amine has a molecular weight of 198.35 g/mol, XLogP of 2.38, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[tert-butyl(methyl)amino]methyl]cyclohexan-1-amine is sourced from PubChem (CID 130979178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).