(2E)-N-[[1-(dimethylamino)cyclobutyl]methyl]cyclooct-2-en-1-amine

C15H28N2 — CID 114227896

IUPAC(2E)-N-[[1-(dimethylamino)cyclobutyl]methyl]cyclooct-2-en-1-amine
SMILESCN(C)C1(CNC2/C=C\CCCCC2)CCC1
InChIInChI=1S/C15H28N2/c1-17(2)15(11-8-12-15)13-16-14-9-6-4-3-5-7-10-14/h6,9,14,16H,3-5,7-8,10-13H2,1-2H3/b9-6-
InChIKeyWTQUOFFFJHTYOM-TWGQIWQCSA-N
MW236.40 g/mol
LogP2.95
Rot. Bonds4

About (2E)-N-[[1-(dimethylamino)cyclobutyl]methyl]cyclooct-2-en-1-amine

(2E)-N-[[1-(dimethylamino)cyclobutyl]methyl]cyclooct-2-en-1-amine (PubChem CID 114227896) has the molecular formula C15H28N2 and a molecular weight of 236.40 g/mol. Its IUPAC name is (2E)-N-[[1-(dimethylamino)cyclobutyl]methyl]cyclooct-2-en-1-amine.

Molecular Properties

Compound Name(2E)-N-[[1-(dimethylamino)cyclobutyl]methyl]cyclooct-2-en-1-amine
PubChem CID114227896
Molecular FormulaC15H28N2
Molecular Weight236.40 g/mol
Exact Mass236.23
IUPAC Name(2E)-N-[[1-(dimethylamino)cyclobutyl]methyl]cyclooct-2-en-1-amine
SMILESCN(C)C1(CNC2/C=C\CCCCC2)CCC1
InChIInChI=1S/C15H28N2/c1-17(2)15(11-8-12-15)13-16-14-9-6-4-3-5-7-10-14/h6,9,14,16H,3-5,7-8,10-13H2,1-2H3/b9-6-
InChIKeyWTQUOFFFJHTYOM-TWGQIWQCSA-N
XLogP2.95
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.40
LogP ≤ 52.95
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

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CID 123644376
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CID 103867344
1-[[(2-tert-butylcyclohexyl)amino]methyl]-N,N-dimethylcyclohexan-1-amine
CID 43081498
N-[[1-(dimethylamino)cyclobutyl]methyl]-4-phenylcyclohexan-1-amine
CID 105414735
1-[(cyclohexylamino)methyl]-N,N,3-trimethylcyclohexan-1-amine
CID 61212107
N-[[1-(dimethylamino)cyclohexyl]methyl]oxepan-4-amine
CID 65076450
N-[[1-(dimethylamino)cyclobutyl]methyl]-1-ethylazepan-4-amine
CID 105415647
N,N-dimethyl-1-[[(2-methylsulfonylcyclopentyl)amino]methyl]cyclohexan-1-amine
CID 65047071
2-(cyclopentylamino)-N-[[1-(dimethylamino)cyclohexyl]methyl]acetamide
CID 60687122
N-[[1-(dimethylamino)cyclopentyl]methyl]oxepan-4-amine
CID 83116241
N-[[1-(dimethylamino)cyclobutyl]methyl]-3,3,5,5-tetramethylcyclohexan-1-amine
CID 105415917
N-[[1-(dimethylamino)cyclohexyl]methyl]-1-prop-2-ynylpiperidin-4-amine
CID 43766456

Frequently Asked Questions

What is the IUPAC name of (2E)-N-[[1-(dimethylamino)cyclobutyl]methyl]cyclooct-2-en-1-amine?
The IUPAC name of (2E)-N-[[1-(dimethylamino)cyclobutyl]methyl]cyclooct-2-en-1-amine (CID 114227896) is (2E)-N-[[1-(dimethylamino)cyclobutyl]methyl]cyclooct-2-en-1-amine.
What is the SMILES notation for (2E)-N-[[1-(dimethylamino)cyclobutyl]methyl]cyclooct-2-en-1-amine?
The canonical SMILES for (2E)-N-[[1-(dimethylamino)cyclobutyl]methyl]cyclooct-2-en-1-amine is CN(C)C1(CNC2/C=C\CCCCC2)CCC1.
What is the InChIKey of (2E)-N-[[1-(dimethylamino)cyclobutyl]methyl]cyclooct-2-en-1-amine?
The InChIKey is WTQUOFFFJHTYOM-TWGQIWQCSA-N. The full InChI is InChI=1S/C15H28N2/c1-17(2)15(11-8-12-15)13-16-14-9-6-4-3-5-7-10-14/h6,9,14,16H,3-5,7-8,10-13H2,1-2H3/b9-6-.
What are the key properties of (2E)-N-[[1-(dimethylamino)cyclobutyl]methyl]cyclooct-2-en-1-amine?
(2E)-N-[[1-(dimethylamino)cyclobutyl]methyl]cyclooct-2-en-1-amine has a molecular weight of 236.40 g/mol, XLogP of 2.95, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-N-[[1-(dimethylamino)cyclobutyl]methyl]cyclooct-2-en-1-amine is sourced from PubChem (CID 114227896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).