1-[1-(ethylamino)-3-methylbut-3-enyl]-N,N-dimethylcyclohexan-1-amine

C15H30N2 — CID 79184871

IUPAC1-[1-(ethylamino)-3-methylbut-3-enyl]-N,N-dimethylcyclohexan-1-amine
SMILESC=C(C)CC(NCC)C1(N(C)C)CCCCC1
InChIInChI=1S/C15H30N2/c1-6-16-14(12-13(2)3)15(17(4)5)10-8-7-9-11-15/h14,16H,2,6-12H2,1,3-5H3
InChIKeyWRJXFNXQLQODSZ-UHFFFAOYSA-N
MW238.42 g/mol
LogP3.20
Rot. Bonds6

About 1-[1-(ethylamino)-3-methylbut-3-enyl]-N,N-dimethylcyclohexan-1-amine

1-[1-(ethylamino)-3-methylbut-3-enyl]-N,N-dimethylcyclohexan-1-amine (PubChem CID 79184871) has the molecular formula C15H30N2 and a molecular weight of 238.42 g/mol. Its IUPAC name is 1-[1-(ethylamino)-3-methylbut-3-enyl]-N,N-dimethylcyclohexan-1-amine.

Molecular Properties

Compound Name1-[1-(ethylamino)-3-methylbut-3-enyl]-N,N-dimethylcyclohexan-1-amine
PubChem CID79184871
Molecular FormulaC15H30N2
Molecular Weight238.42 g/mol
Exact Mass238.24
IUPAC Name1-[1-(ethylamino)-3-methylbut-3-enyl]-N,N-dimethylcyclohexan-1-amine
SMILESC=C(C)CC(NCC)C1(N(C)C)CCCCC1
InChIInChI=1S/C15H30N2/c1-6-16-14(12-13(2)3)15(17(4)5)10-8-7-9-11-15/h14,16H,2,6-12H2,1,3-5H3
InChIKeyWRJXFNXQLQODSZ-UHFFFAOYSA-N
XLogP3.20
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.42
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-[1-(ethylamino)but-3-enyl]-N,N-dimethylcycloheptan-1-amine
CID 79081392
1-[1-(ethylamino)-2-methoxyethyl]-N,N-dimethylcyclopentan-1-amine
CID 79568577
N-ethyl-1-(1-methoxycycloheptyl)-3-methylbut-3-en-1-amine
CID 116770293
1-(1-amino-3-methylbut-3-enyl)-N,N-dimethylcycloheptan-1-amine
CID 79185474
1-[1-(ethylamino)hexyl]-N,N-dimethylcycloheptan-1-amine
CID 79081785
1-[1-(ethylamino)-2-phenylethyl]-N,N-dimethylcycloheptan-1-amine
CID 79063752
1-[1-(ethylamino)-5,5,5-trifluoropentyl]-N,N-dimethylcyclopentan-1-amine
CID 115517235
N-ethyl-3-methyl-1-(1-phenylcyclopropyl)but-3-en-1-amine
CID 79185073
1-[1-(ethylamino)-3-(oxolan-2-yl)propyl]-N,N-dimethylcyclohexan-1-amine
CID 79066074
3-[2-[1-(dimethylamino)cyclohexyl]-2-(ethylamino)ethyl]pyridin-4-amine
CID 79061268
1-[1-(ethylamino)-3-thiophen-3-ylpropyl]-N,N-dimethylcycloheptan-1-amine
CID 79064190
1-[1-(ethylamino)-3-thiophen-3-ylpropyl]-N,N-dimethylcyclohexan-1-amine
CID 79066376

Frequently Asked Questions

What is the IUPAC name of 1-[1-(ethylamino)-3-methylbut-3-enyl]-N,N-dimethylcyclohexan-1-amine?
The IUPAC name of 1-[1-(ethylamino)-3-methylbut-3-enyl]-N,N-dimethylcyclohexan-1-amine (CID 79184871) is 1-[1-(ethylamino)-3-methylbut-3-enyl]-N,N-dimethylcyclohexan-1-amine.
What is the SMILES notation for 1-[1-(ethylamino)-3-methylbut-3-enyl]-N,N-dimethylcyclohexan-1-amine?
The canonical SMILES for 1-[1-(ethylamino)-3-methylbut-3-enyl]-N,N-dimethylcyclohexan-1-amine is C=C(C)CC(NCC)C1(N(C)C)CCCCC1.
What is the InChIKey of 1-[1-(ethylamino)-3-methylbut-3-enyl]-N,N-dimethylcyclohexan-1-amine?
The InChIKey is WRJXFNXQLQODSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2/c1-6-16-14(12-13(2)3)15(17(4)5)10-8-7-9-11-15/h14,16H,2,6-12H2,1,3-5H3.
What are the key properties of 1-[1-(ethylamino)-3-methylbut-3-enyl]-N,N-dimethylcyclohexan-1-amine?
1-[1-(ethylamino)-3-methylbut-3-enyl]-N,N-dimethylcyclohexan-1-amine has a molecular weight of 238.42 g/mol, XLogP of 3.20, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(ethylamino)-3-methylbut-3-enyl]-N,N-dimethylcyclohexan-1-amine is sourced from PubChem (CID 79184871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).