N,5,6-trimethyl-4-propan-2-ylcyclohexa-2,4-dien-1-amine

C12H21N — CID 174365999

IUPACN,5,6-trimethyl-4-propan-2-ylcyclohexa-2,4-dien-1-amine
SMILESCNC1C=CC(C(C)C)=C(C)C1C
InChIInChI=1S/C12H21N/c1-8(2)11-6-7-12(13-5)10(4)9(11)3/h6-8,10,12-13H,1-5H3
InChIKeyPDZFRDQOMVOIPV-UHFFFAOYSA-N
MW179.31 g/mol
LogP2.75
Rot. Bonds2

About N,5,6-trimethyl-4-propan-2-ylcyclohexa-2,4-dien-1-amine

N,5,6-trimethyl-4-propan-2-ylcyclohexa-2,4-dien-1-amine (PubChem CID 174365999) has the molecular formula C12H21N and a molecular weight of 179.31 g/mol. Its IUPAC name is N,5,6-trimethyl-4-propan-2-ylcyclohexa-2,4-dien-1-amine.

Molecular Properties

Compound NameN,5,6-trimethyl-4-propan-2-ylcyclohexa-2,4-dien-1-amine
PubChem CID174365999
Molecular FormulaC12H21N
Molecular Weight179.31 g/mol
Exact Mass179.17
IUPAC NameN,5,6-trimethyl-4-propan-2-ylcyclohexa-2,4-dien-1-amine
SMILESCNC1C=CC(C(C)C)=C(C)C1C
InChIInChI=1S/C12H21N/c1-8(2)11-6-7-12(13-5)10(4)9(11)3/h6-8,10,12-13H,1-5H3
InChIKeyPDZFRDQOMVOIPV-UHFFFAOYSA-N
XLogP2.75
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.31
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N,5,6-trimethyl-4-propan-2-ylcyclohexa-2,4-dien-1-amine?
The IUPAC name of N,5,6-trimethyl-4-propan-2-ylcyclohexa-2,4-dien-1-amine (CID 174365999) is N,5,6-trimethyl-4-propan-2-ylcyclohexa-2,4-dien-1-amine.
What is the SMILES notation for N,5,6-trimethyl-4-propan-2-ylcyclohexa-2,4-dien-1-amine?
The canonical SMILES for N,5,6-trimethyl-4-propan-2-ylcyclohexa-2,4-dien-1-amine is CNC1C=CC(C(C)C)=C(C)C1C.
What is the InChIKey of N,5,6-trimethyl-4-propan-2-ylcyclohexa-2,4-dien-1-amine?
The InChIKey is PDZFRDQOMVOIPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N/c1-8(2)11-6-7-12(13-5)10(4)9(11)3/h6-8,10,12-13H,1-5H3.
What are the key properties of N,5,6-trimethyl-4-propan-2-ylcyclohexa-2,4-dien-1-amine?
N,5,6-trimethyl-4-propan-2-ylcyclohexa-2,4-dien-1-amine has a molecular weight of 179.31 g/mol, XLogP of 2.75, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,5,6-trimethyl-4-propan-2-ylcyclohexa-2,4-dien-1-amine is sourced from PubChem (CID 174365999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).