3,3,5,5-tetramethyl-1-prop-2-enylcyclohexan-1-amine

C13H25N — CID 10285861

IUPAC3,3,5,5-tetramethyl-1-prop-2-enylcyclohexan-1-amine
SMILESC=CCC1(N)CC(C)(C)CC(C)(C)C1
InChIInChI=1S/C13H25N/c1-6-7-13(14)9-11(2,3)8-12(4,5)10-13/h6H,1,7-10,14H2,2-5H3
InChIKeyNQZFDMAHJOSVDZ-UHFFFAOYSA-N
MW195.35 g/mol
LogP3.50
Rot. Bonds2

About 3,3,5,5-tetramethyl-1-prop-2-enylcyclohexan-1-amine

3,3,5,5-tetramethyl-1-prop-2-enylcyclohexan-1-amine (PubChem CID 10285861) has the molecular formula C13H25N and a molecular weight of 195.35 g/mol. Its IUPAC name is 3,3,5,5-tetramethyl-1-prop-2-enylcyclohexan-1-amine.

Molecular Properties

Compound Name3,3,5,5-tetramethyl-1-prop-2-enylcyclohexan-1-amine
PubChem CID10285861
Molecular FormulaC13H25N
Molecular Weight195.35 g/mol
Exact Mass195.20
IUPAC Name3,3,5,5-tetramethyl-1-prop-2-enylcyclohexan-1-amine
SMILESC=CCC1(N)CC(C)(C)CC(C)(C)C1
InChIInChI=1S/C13H25N/c1-6-7-13(14)9-11(2,3)8-12(4,5)10-13/h6H,1,7-10,14H2,2-5H3
InChIKeyNQZFDMAHJOSVDZ-UHFFFAOYSA-N
XLogP3.50
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.35
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3,3,5,5-tetramethyl-1-prop-2-enylcyclohexan-1-amine?
The IUPAC name of 3,3,5,5-tetramethyl-1-prop-2-enylcyclohexan-1-amine (CID 10285861) is 3,3,5,5-tetramethyl-1-prop-2-enylcyclohexan-1-amine.
What is the SMILES notation for 3,3,5,5-tetramethyl-1-prop-2-enylcyclohexan-1-amine?
The canonical SMILES for 3,3,5,5-tetramethyl-1-prop-2-enylcyclohexan-1-amine is C=CCC1(N)CC(C)(C)CC(C)(C)C1.
What is the InChIKey of 3,3,5,5-tetramethyl-1-prop-2-enylcyclohexan-1-amine?
The InChIKey is NQZFDMAHJOSVDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N/c1-6-7-13(14)9-11(2,3)8-12(4,5)10-13/h6H,1,7-10,14H2,2-5H3.
What are the key properties of 3,3,5,5-tetramethyl-1-prop-2-enylcyclohexan-1-amine?
3,3,5,5-tetramethyl-1-prop-2-enylcyclohexan-1-amine has a molecular weight of 195.35 g/mol, XLogP of 3.50, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,5,5-tetramethyl-1-prop-2-enylcyclohexan-1-amine is sourced from PubChem (CID 10285861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).