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

C12H21N — CID 134375617

IUPACN,N,1-trimethyl-4-propan-2-ylcyclohexa-2,4-dien-1-amine
SMILESCC(C)C1=CCC(C)(N(C)C)C=C1
InChIInChI=1S/C12H21N/c1-10(2)11-6-8-12(3,9-7-11)13(4)5/h6-8,10H,9H2,1-5H3
InChIKeyOMDIPTJBRRRNRE-UHFFFAOYSA-N
MW179.31 g/mol
LogP2.85
Rot. Bonds2

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

N,N,1-trimethyl-4-propan-2-ylcyclohexa-2,4-dien-1-amine (PubChem CID 134375617) has the molecular formula C12H21N and a molecular weight of 179.31 g/mol. Its IUPAC name is N,N,1-trimethyl-4-propan-2-ylcyclohexa-2,4-dien-1-amine.

Molecular Properties

Compound NameN,N,1-trimethyl-4-propan-2-ylcyclohexa-2,4-dien-1-amine
PubChem CID134375617
Molecular FormulaC12H21N
Molecular Weight179.31 g/mol
Exact Mass179.17
IUPAC NameN,N,1-trimethyl-4-propan-2-ylcyclohexa-2,4-dien-1-amine
SMILESCC(C)C1=CCC(C)(N(C)C)C=C1
InChIInChI=1S/C12H21N/c1-10(2)11-6-8-12(3,9-7-11)13(4)5/h6-8,10H,9H2,1-5H3
InChIKeyOMDIPTJBRRRNRE-UHFFFAOYSA-N
XLogP2.85
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.31
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N,N,1-trimethyl-4-propan-2-ylcyclohexa-2,4-dien-1-amine?
The IUPAC name of N,N,1-trimethyl-4-propan-2-ylcyclohexa-2,4-dien-1-amine (CID 134375617) is N,N,1-trimethyl-4-propan-2-ylcyclohexa-2,4-dien-1-amine.
What is the SMILES notation for N,N,1-trimethyl-4-propan-2-ylcyclohexa-2,4-dien-1-amine?
The canonical SMILES for N,N,1-trimethyl-4-propan-2-ylcyclohexa-2,4-dien-1-amine is CC(C)C1=CCC(C)(N(C)C)C=C1.
What is the InChIKey of N,N,1-trimethyl-4-propan-2-ylcyclohexa-2,4-dien-1-amine?
The InChIKey is OMDIPTJBRRRNRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N/c1-10(2)11-6-8-12(3,9-7-11)13(4)5/h6-8,10H,9H2,1-5H3.
What are the key properties of N,N,1-trimethyl-4-propan-2-ylcyclohexa-2,4-dien-1-amine?
N,N,1-trimethyl-4-propan-2-ylcyclohexa-2,4-dien-1-amine has a molecular weight of 179.31 g/mol, XLogP of 2.85, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,1-trimethyl-4-propan-2-ylcyclohexa-2,4-dien-1-amine is sourced from PubChem (CID 134375617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).