N-[(4-tert-butylcyclohexyl)methyl]-N,2-dimethylpropan-2-amine

C16H33N — CID 177072321

IUPACN-[(4-tert-butylcyclohexyl)methyl]-N,2-dimethylpropan-2-amine
SMILESCN(CC1CCC(C(C)(C)C)CC1)C(C)(C)C
InChIInChI=1S/C16H33N/c1-15(2,3)14-10-8-13(9-11-14)12-17(7)16(4,5)6/h13-14H,8-12H2,1-7H3
InChIKeyNTEJZCUQMONTKX-UHFFFAOYSA-N
MW239.45 g/mol
LogP4.57
Rot. Bonds2

About N-[(4-tert-butylcyclohexyl)methyl]-N,2-dimethylpropan-2-amine

N-[(4-tert-butylcyclohexyl)methyl]-N,2-dimethylpropan-2-amine (PubChem CID 177072321) has the molecular formula C16H33N and a molecular weight of 239.45 g/mol. Its IUPAC name is N-[(4-tert-butylcyclohexyl)methyl]-N,2-dimethylpropan-2-amine.

Molecular Properties

Compound NameN-[(4-tert-butylcyclohexyl)methyl]-N,2-dimethylpropan-2-amine
PubChem CID177072321
Molecular FormulaC16H33N
Molecular Weight239.45 g/mol
Exact Mass239.26
IUPAC NameN-[(4-tert-butylcyclohexyl)methyl]-N,2-dimethylpropan-2-amine
SMILESCN(CC1CCC(C(C)(C)C)CC1)C(C)(C)C
InChIInChI=1S/C16H33N/c1-15(2,3)14-10-8-13(9-11-14)12-17(7)16(4,5)6/h13-14H,8-12H2,1-7H3
InChIKeyNTEJZCUQMONTKX-UHFFFAOYSA-N
XLogP4.57
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.45
LogP ≤ 54.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-[(4-tert-butylcyclohexyl)methyl]-N,2-dimethylpropan-2-amine?
The IUPAC name of N-[(4-tert-butylcyclohexyl)methyl]-N,2-dimethylpropan-2-amine (CID 177072321) is N-[(4-tert-butylcyclohexyl)methyl]-N,2-dimethylpropan-2-amine.
What is the SMILES notation for N-[(4-tert-butylcyclohexyl)methyl]-N,2-dimethylpropan-2-amine?
The canonical SMILES for N-[(4-tert-butylcyclohexyl)methyl]-N,2-dimethylpropan-2-amine is CN(CC1CCC(C(C)(C)C)CC1)C(C)(C)C.
What is the InChIKey of N-[(4-tert-butylcyclohexyl)methyl]-N,2-dimethylpropan-2-amine?
The InChIKey is NTEJZCUQMONTKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33N/c1-15(2,3)14-10-8-13(9-11-14)12-17(7)16(4,5)6/h13-14H,8-12H2,1-7H3.
What are the key properties of N-[(4-tert-butylcyclohexyl)methyl]-N,2-dimethylpropan-2-amine?
N-[(4-tert-butylcyclohexyl)methyl]-N,2-dimethylpropan-2-amine has a molecular weight of 239.45 g/mol, XLogP of 4.57, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-tert-butylcyclohexyl)methyl]-N,2-dimethylpropan-2-amine is sourced from PubChem (CID 177072321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).