(2E)-N-(3,3-dimethylcyclohexyl)cyclooct-2-en-1-amine

C16H29N — CID 114227869

IUPAC(2E)-N-(3,3-dimethylcyclohexyl)cyclooct-2-en-1-amine
SMILESCC1(C)CCCC(NC2/C=C\CCCCC2)C1
InChIInChI=1S/C16H29N/c1-16(2)12-8-11-15(13-16)17-14-9-6-4-3-5-7-10-14/h6,9,14-15,17H,3-5,7-8,10-13H2,1-2H3/b9-6-
InChIKeyAUGWBGGTPWBHEG-TWGQIWQCSA-N
MW235.41 g/mol
LogP4.43
Rot. Bonds2

About (2E)-N-(3,3-dimethylcyclohexyl)cyclooct-2-en-1-amine

(2E)-N-(3,3-dimethylcyclohexyl)cyclooct-2-en-1-amine (PubChem CID 114227869) has the molecular formula C16H29N and a molecular weight of 235.41 g/mol. Its IUPAC name is (2E)-N-(3,3-dimethylcyclohexyl)cyclooct-2-en-1-amine.

Molecular Properties

Compound Name(2E)-N-(3,3-dimethylcyclohexyl)cyclooct-2-en-1-amine
PubChem CID114227869
Molecular FormulaC16H29N
Molecular Weight235.41 g/mol
Exact Mass235.23
IUPAC Name(2E)-N-(3,3-dimethylcyclohexyl)cyclooct-2-en-1-amine
SMILESCC1(C)CCCC(NC2/C=C\CCCCC2)C1
InChIInChI=1S/C16H29N/c1-16(2)12-8-11-15(13-16)17-14-9-6-4-3-5-7-10-14/h6,9,14-15,17H,3-5,7-8,10-13H2,1-2H3/b9-6-
InChIKeyAUGWBGGTPWBHEG-TWGQIWQCSA-N
XLogP4.43
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.41
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

4-(cyclohept-2-en-1-ylamino)-1-methylcyclohexane-1-thiol
CID 166930977
N-cyclohex-2-en-1-ylcyclooctanamine
CID 103830652
N-(3,3-dimethylcyclopentyl)cyclododecanamine
CID 114544295
trans-(1R,2R)-2-[(3,3-dimethylcyclohexyl)amino]cyclopentan-1-ol
CID 102733867
N-(3,3-dimethylcyclohexyl)-3,3,5,5-tetramethylcyclohexan-1-amine
CID 112682231
N-(2,2,3,3-tetramethylcyclopropyl)cyclohex-2-en-1-amine
CID 107907258
N-(3-methylcyclopentyl)cyclohex-2-en-1-amine
CID 115893652
N-cyclopent-3-en-1-yl-3,3-dimethylcyclopentan-1-amine
CID 104531307
N-propylcyclooct-2-en-1-amine
CID 123644376
(2E)-N-[[1-(dimethylamino)cyclobutyl]methyl]cyclooct-2-en-1-amine
CID 114227896
[1-[[(3,3-dimethylcyclohexyl)amino]methyl]cyclohexyl]methanol
CID 81435372
4,4,8,8-tetramethyl-1,2,3,5,5a,6,7,9,10,10a-decahydroheptalene
CID 123277009

Frequently Asked Questions

What is the IUPAC name of (2E)-N-(3,3-dimethylcyclohexyl)cyclooct-2-en-1-amine?
The IUPAC name of (2E)-N-(3,3-dimethylcyclohexyl)cyclooct-2-en-1-amine (CID 114227869) is (2E)-N-(3,3-dimethylcyclohexyl)cyclooct-2-en-1-amine.
What is the SMILES notation for (2E)-N-(3,3-dimethylcyclohexyl)cyclooct-2-en-1-amine?
The canonical SMILES for (2E)-N-(3,3-dimethylcyclohexyl)cyclooct-2-en-1-amine is CC1(C)CCCC(NC2/C=C\CCCCC2)C1.
What is the InChIKey of (2E)-N-(3,3-dimethylcyclohexyl)cyclooct-2-en-1-amine?
The InChIKey is AUGWBGGTPWBHEG-TWGQIWQCSA-N. The full InChI is InChI=1S/C16H29N/c1-16(2)12-8-11-15(13-16)17-14-9-6-4-3-5-7-10-14/h6,9,14-15,17H,3-5,7-8,10-13H2,1-2H3/b9-6-.
What are the key properties of (2E)-N-(3,3-dimethylcyclohexyl)cyclooct-2-en-1-amine?
(2E)-N-(3,3-dimethylcyclohexyl)cyclooct-2-en-1-amine has a molecular weight of 235.41 g/mol, XLogP of 4.43, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-N-(3,3-dimethylcyclohexyl)cyclooct-2-en-1-amine is sourced from PubChem (CID 114227869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).