N,N-dimethyl-3-propan-2-ylcyclohexa-2,4-dien-1-amine

C11H19N — CID 130224295

IUPACN,N-dimethyl-3-propan-2-ylcyclohexa-2,4-dien-1-amine
SMILESCC(C)C1=CC(N(C)C)CC=C1
InChIInChI=1S/C11H19N/c1-9(2)10-6-5-7-11(8-10)12(3)4/h5-6,8-9,11H,7H2,1-4H3
InChIKeyLGXAMSZMMRHSKQ-UHFFFAOYSA-N
MW165.28 g/mol
LogP2.46
Rot. Bonds2

About N,N-dimethyl-3-propan-2-ylcyclohexa-2,4-dien-1-amine

N,N-dimethyl-3-propan-2-ylcyclohexa-2,4-dien-1-amine (PubChem CID 130224295) has the molecular formula C11H19N and a molecular weight of 165.28 g/mol. Its IUPAC name is N,N-dimethyl-3-propan-2-ylcyclohexa-2,4-dien-1-amine.

Molecular Properties

Compound NameN,N-dimethyl-3-propan-2-ylcyclohexa-2,4-dien-1-amine
PubChem CID130224295
Molecular FormulaC11H19N
Molecular Weight165.28 g/mol
Exact Mass165.15
IUPAC NameN,N-dimethyl-3-propan-2-ylcyclohexa-2,4-dien-1-amine
SMILESCC(C)C1=CC(N(C)C)CC=C1
InChIInChI=1S/C11H19N/c1-9(2)10-6-5-7-11(8-10)12(3)4/h5-6,8-9,11H,7H2,1-4H3
InChIKeyLGXAMSZMMRHSKQ-UHFFFAOYSA-N
XLogP2.46
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.28
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N,N,3-trimethylcyclohexa-2,4-dien-1-amine
CID 118506281
3-propan-2-ylcyclohexa-2,4-dien-1-amine
CID 146359524
N,N-dimethyl-4-propan-2-ylcyclohepta-2,4-dien-1-amine
CID 176964136
hafnium;2-propan-2-ylcyclopenta-1,3-diene
CID 175311105
6-ethyl-8-methyl-3-propan-2-ylcyclonona-1,3,6-triene
CID 91572981
3-propan-2-ylcyclopenta-2,4-dien-1-ol
CID 146647616
ethene;5-methyl-2-propan-2-ylcyclopenta-1,3-diene
CID 143684715
N,N,4-trimethylcyclohexa-2,4-dien-1-amine
CID 89017646
[(1R)-1-cyclopenta-1,4-dien-1-ylethyl]-trimethylazanium
CID 137225477
6-methylidene-2-propan-2-ylcyclohexa-1,3-diene
CID 90709253
2-(1,1,1,3,3,3-hexafluoropropan-2-yl)-6-methylcyclohexa-1,3-diene
CID 147729970
7-amino-5-propan-2-ylcyclohepta-1,3,5-trien-1-ol
CID 51050524

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-3-propan-2-ylcyclohexa-2,4-dien-1-amine?
The IUPAC name of N,N-dimethyl-3-propan-2-ylcyclohexa-2,4-dien-1-amine (CID 130224295) is N,N-dimethyl-3-propan-2-ylcyclohexa-2,4-dien-1-amine.
What is the SMILES notation for N,N-dimethyl-3-propan-2-ylcyclohexa-2,4-dien-1-amine?
The canonical SMILES for N,N-dimethyl-3-propan-2-ylcyclohexa-2,4-dien-1-amine is CC(C)C1=CC(N(C)C)CC=C1.
What is the InChIKey of N,N-dimethyl-3-propan-2-ylcyclohexa-2,4-dien-1-amine?
The InChIKey is LGXAMSZMMRHSKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N/c1-9(2)10-6-5-7-11(8-10)12(3)4/h5-6,8-9,11H,7H2,1-4H3.
What are the key properties of N,N-dimethyl-3-propan-2-ylcyclohexa-2,4-dien-1-amine?
N,N-dimethyl-3-propan-2-ylcyclohexa-2,4-dien-1-amine has a molecular weight of 165.28 g/mol, XLogP of 2.46, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-3-propan-2-ylcyclohexa-2,4-dien-1-amine is sourced from PubChem (CID 130224295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).