3,3,5-trimethyl-N-propan-2-ylcyclohexen-1-amine

C12H23N — CID 70368562

IUPAC3,3,5-trimethyl-N-propan-2-ylcyclohexen-1-amine
SMILESCC1CC(NC(C)C)=CC(C)(C)C1
InChIInChI=1S/C12H23N/c1-9(2)13-11-6-10(3)7-12(4,5)8-11/h8-10,13H,6-7H2,1-5H3
InChIKeyUMOIFJTXZVOCBD-UHFFFAOYSA-N
MW181.32 g/mol
LogP3.32
Rot. Bonds2

About 3,3,5-trimethyl-N-propan-2-ylcyclohexen-1-amine

3,3,5-trimethyl-N-propan-2-ylcyclohexen-1-amine (PubChem CID 70368562) has the molecular formula C12H23N and a molecular weight of 181.32 g/mol. Its IUPAC name is 3,3,5-trimethyl-N-propan-2-ylcyclohexen-1-amine.

Molecular Properties

Compound Name3,3,5-trimethyl-N-propan-2-ylcyclohexen-1-amine
PubChem CID70368562
Molecular FormulaC12H23N
Molecular Weight181.32 g/mol
Exact Mass181.18
IUPAC Name3,3,5-trimethyl-N-propan-2-ylcyclohexen-1-amine
SMILESCC1CC(NC(C)C)=CC(C)(C)C1
InChIInChI=1S/C12H23N/c1-9(2)13-11-6-10(3)7-12(4,5)8-11/h8-10,13H,6-7H2,1-5H3
InChIKeyUMOIFJTXZVOCBD-UHFFFAOYSA-N
XLogP3.32
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.32
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3,3,5-trimethyl-N-propan-2-ylcyclohexen-1-amine?
The IUPAC name of 3,3,5-trimethyl-N-propan-2-ylcyclohexen-1-amine (CID 70368562) is 3,3,5-trimethyl-N-propan-2-ylcyclohexen-1-amine.
What is the SMILES notation for 3,3,5-trimethyl-N-propan-2-ylcyclohexen-1-amine?
The canonical SMILES for 3,3,5-trimethyl-N-propan-2-ylcyclohexen-1-amine is CC1CC(NC(C)C)=CC(C)(C)C1.
What is the InChIKey of 3,3,5-trimethyl-N-propan-2-ylcyclohexen-1-amine?
The InChIKey is UMOIFJTXZVOCBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N/c1-9(2)13-11-6-10(3)7-12(4,5)8-11/h8-10,13H,6-7H2,1-5H3.
What are the key properties of 3,3,5-trimethyl-N-propan-2-ylcyclohexen-1-amine?
3,3,5-trimethyl-N-propan-2-ylcyclohexen-1-amine has a molecular weight of 181.32 g/mol, XLogP of 3.32, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,5-trimethyl-N-propan-2-ylcyclohexen-1-amine is sourced from PubChem (CID 70368562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).