N-(2-cyclohexa-1,4-dien-1-ylethyl)-N-propan-2-ylpropan-2-amine

C14H25N — CID 57077846

IUPACN-(2-cyclohexa-1,4-dien-1-ylethyl)-N-propan-2-ylpropan-2-amine
SMILESCC(C)N(CCC1=CCC=CC1)C(C)C
InChIInChI=1S/C14H25N/c1-12(2)15(13(3)4)11-10-14-8-6-5-7-9-14/h5-6,9,12-13H,7-8,10-11H2,1-4H3
InChIKeyQERDWKUMCSFPKA-UHFFFAOYSA-N
MW207.36 g/mol
LogP3.77
Rot. Bonds5

About N-(2-cyclohexa-1,4-dien-1-ylethyl)-N-propan-2-ylpropan-2-amine

N-(2-cyclohexa-1,4-dien-1-ylethyl)-N-propan-2-ylpropan-2-amine (PubChem CID 57077846) has the molecular formula C14H25N and a molecular weight of 207.36 g/mol. Its IUPAC name is N-(2-cyclohexa-1,4-dien-1-ylethyl)-N-propan-2-ylpropan-2-amine.

Molecular Properties

Compound NameN-(2-cyclohexa-1,4-dien-1-ylethyl)-N-propan-2-ylpropan-2-amine
PubChem CID57077846
Molecular FormulaC14H25N
Molecular Weight207.36 g/mol
Exact Mass207.20
IUPAC NameN-(2-cyclohexa-1,4-dien-1-ylethyl)-N-propan-2-ylpropan-2-amine
SMILESCC(C)N(CCC1=CCC=CC1)C(C)C
InChIInChI=1S/C14H25N/c1-12(2)15(13(3)4)11-10-14-8-6-5-7-9-14/h5-6,9,12-13H,7-8,10-11H2,1-4H3
InChIKeyQERDWKUMCSFPKA-UHFFFAOYSA-N
XLogP3.77
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.36
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(1S)-N,4-Dimethyl-N-(4-methylpent-3-enyl)cyclohex-3-enaminium
CID 657066
(1R)-N,4-Dimethyl-N-(4-methylpent-3-enyl)cyclohex-3-enaminium
CID 657068
(4-Ethynylcyclohex-3-enyl)dipropylamine
CID 4420454
(1R)-N,N,4-trimethylcyclohex-3-en-1-amine
CID 447259
2-[4-(Dipropylamino)cyclohexylidene]acetonitrile
CID 10775317
1-Geranylpiperidine
CID 12760939
4-ethyl-1-methyl-3,6-dihydro-2H-pyridine
CID 21345321
4-Hexenylamine, N-ethyl-N,1,5-trimethyl-
CID 57940
N,N-Diethylazasqualene
CID 6439792
n,n-Dimethylcyclohex-2-en-1-amine
CID 258772
n,n-Diethylcyclohex-2-en-1-amine
CID 258777
Pyridine, 1,2,5,6-tetrahydro-1,2,4-trimethyl-
CID 23423765

Frequently Asked Questions

What is the IUPAC name of N-(2-cyclohexa-1,4-dien-1-ylethyl)-N-propan-2-ylpropan-2-amine?
The IUPAC name of N-(2-cyclohexa-1,4-dien-1-ylethyl)-N-propan-2-ylpropan-2-amine (CID 57077846) is N-(2-cyclohexa-1,4-dien-1-ylethyl)-N-propan-2-ylpropan-2-amine.
What is the SMILES notation for N-(2-cyclohexa-1,4-dien-1-ylethyl)-N-propan-2-ylpropan-2-amine?
The canonical SMILES for N-(2-cyclohexa-1,4-dien-1-ylethyl)-N-propan-2-ylpropan-2-amine is CC(C)N(CCC1=CCC=CC1)C(C)C.
What is the InChIKey of N-(2-cyclohexa-1,4-dien-1-ylethyl)-N-propan-2-ylpropan-2-amine?
The InChIKey is QERDWKUMCSFPKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N/c1-12(2)15(13(3)4)11-10-14-8-6-5-7-9-14/h5-6,9,12-13H,7-8,10-11H2,1-4H3.
What are the key properties of N-(2-cyclohexa-1,4-dien-1-ylethyl)-N-propan-2-ylpropan-2-amine?
N-(2-cyclohexa-1,4-dien-1-ylethyl)-N-propan-2-ylpropan-2-amine has a molecular weight of 207.36 g/mol, XLogP of 3.77, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyclohexa-1,4-dien-1-ylethyl)-N-propan-2-ylpropan-2-amine is sourced from PubChem (CID 57077846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).