N-(2-cyclohexylpropan-2-yl)-3,3-dimethylbut-1-en-2-amine

C15H29N — CID 167010285

IUPACN-(2-cyclohexylpropan-2-yl)-3,3-dimethylbut-1-en-2-amine
SMILESC=C(NC(C)(C)C1CCCCC1)C(C)(C)C
InChIInChI=1S/C15H29N/c1-12(14(2,3)4)16-15(5,6)13-10-8-7-9-11-13/h13,16H,1,7-11H2,2-6H3
InChIKeyDTTOFRHQXQWIJK-UHFFFAOYSA-N
MW223.40 g/mol
LogP4.49
Rot. Bonds3

About N-(2-cyclohexylpropan-2-yl)-3,3-dimethylbut-1-en-2-amine

N-(2-cyclohexylpropan-2-yl)-3,3-dimethylbut-1-en-2-amine (PubChem CID 167010285) has the molecular formula C15H29N and a molecular weight of 223.40 g/mol. Its IUPAC name is N-(2-cyclohexylpropan-2-yl)-3,3-dimethylbut-1-en-2-amine.

Molecular Properties

Compound NameN-(2-cyclohexylpropan-2-yl)-3,3-dimethylbut-1-en-2-amine
PubChem CID167010285
Molecular FormulaC15H29N
Molecular Weight223.40 g/mol
Exact Mass223.23
IUPAC NameN-(2-cyclohexylpropan-2-yl)-3,3-dimethylbut-1-en-2-amine
SMILESC=C(NC(C)(C)C1CCCCC1)C(C)(C)C
InChIInChI=1S/C15H29N/c1-12(14(2,3)4)16-15(5,6)13-10-8-7-9-11-13/h13,16H,1,7-11H2,2-6H3
InChIKeyDTTOFRHQXQWIJK-UHFFFAOYSA-N
XLogP4.49
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.40
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-(2-cyclohexylpropan-2-yl)-3,3-dimethylbut-1-en-2-amine?
The IUPAC name of N-(2-cyclohexylpropan-2-yl)-3,3-dimethylbut-1-en-2-amine (CID 167010285) is N-(2-cyclohexylpropan-2-yl)-3,3-dimethylbut-1-en-2-amine.
What is the SMILES notation for N-(2-cyclohexylpropan-2-yl)-3,3-dimethylbut-1-en-2-amine?
The canonical SMILES for N-(2-cyclohexylpropan-2-yl)-3,3-dimethylbut-1-en-2-amine is C=C(NC(C)(C)C1CCCCC1)C(C)(C)C.
What is the InChIKey of N-(2-cyclohexylpropan-2-yl)-3,3-dimethylbut-1-en-2-amine?
The InChIKey is DTTOFRHQXQWIJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N/c1-12(14(2,3)4)16-15(5,6)13-10-8-7-9-11-13/h13,16H,1,7-11H2,2-6H3.
What are the key properties of N-(2-cyclohexylpropan-2-yl)-3,3-dimethylbut-1-en-2-amine?
N-(2-cyclohexylpropan-2-yl)-3,3-dimethylbut-1-en-2-amine has a molecular weight of 223.40 g/mol, XLogP of 4.49, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyclohexylpropan-2-yl)-3,3-dimethylbut-1-en-2-amine is sourced from PubChem (CID 167010285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).