N-(cyclohex-3-en-1-ylmethyl)-1-(oxolan-2-yl)ethanamine

C13H23NO — CID 43208618

IUPACN-(cyclohex-3-en-1-ylmethyl)-1-(oxolan-2-yl)ethanamine
SMILESCC(NCC1CC=CCC1)C1CCCO1
InChIInChI=1S/C13H23NO/c1-11(13-8-5-9-15-13)14-10-12-6-3-2-4-7-12/h2-3,11-14H,4-10H2,1H3
InChIKeyLVHYYDOQXKYZAW-UHFFFAOYSA-N
MW209.33 g/mol
LogP2.50
Rot. Bonds4

About N-(cyclohex-3-en-1-ylmethyl)-1-(oxolan-2-yl)ethanamine

N-(cyclohex-3-en-1-ylmethyl)-1-(oxolan-2-yl)ethanamine (PubChem CID 43208618) has the molecular formula C13H23NO and a molecular weight of 209.33 g/mol. Its IUPAC name is N-(cyclohex-3-en-1-ylmethyl)-1-(oxolan-2-yl)ethanamine.

Molecular Properties

Compound NameN-(cyclohex-3-en-1-ylmethyl)-1-(oxolan-2-yl)ethanamine
PubChem CID43208618
Molecular FormulaC13H23NO
Molecular Weight209.33 g/mol
Exact Mass209.18
IUPAC NameN-(cyclohex-3-en-1-ylmethyl)-1-(oxolan-2-yl)ethanamine
SMILESCC(NCC1CC=CCC1)C1CCCO1
InChIInChI=1S/C13H23NO/c1-11(13-8-5-9-15-13)14-10-12-6-3-2-4-7-12/h2-3,11-14H,4-10H2,1H3
InChIKeyLVHYYDOQXKYZAW-UHFFFAOYSA-N
XLogP2.50
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.33
LogP ≤ 52.50
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

N-[(1-methylpiperidin-3-yl)methyl]-1-(oxolan-2-yl)ethanamine
CID 62654881
(2R)-2-(cyclohex-3-en-1-ylmethylamino)butan-1-ol
CID 103924278
(2S)-2-(cyclohex-3-en-1-ylmethylamino)butan-1-ol
CID 104980641
1-cyclobutyl-N-(cyclohex-3-en-1-ylmethyl)propan-2-amine
CID 115713345
N-(1-oxaspiro[4.4]nonan-2-ylmethyl)-1-(oxolan-2-yl)ethanamine
CID 102896845
1-(oxolan-2-yl)-N-(piperidin-2-ylmethyl)ethanamine
CID 106633061
(1S)-N-[[(1S)-cyclohex-3-en-1-yl]methyl]-1-phenylethanamine
CID 40641093
2,2-dimethoxy-N-[1-(oxolan-2-yl)ethyl]ethanamine
CID 63686991
N-[(5-iodofuran-2-yl)methyl]-1-(oxolan-2-yl)ethanamine
CID 43771994
N-[(5-bromofuran-2-yl)methyl]-1-(oxolan-2-yl)ethanamine
CID 43208465
N-[2-(cyclopropylmethoxy)ethyl]-1-(oxolan-2-yl)ethanamine
CID 62599763
N-[2-(3,4-dimethylpyrrolidin-1-yl)ethyl]-1-(oxolan-2-yl)ethanamine
CID 79183686

Frequently Asked Questions

What is the IUPAC name of N-(cyclohex-3-en-1-ylmethyl)-1-(oxolan-2-yl)ethanamine?
The IUPAC name of N-(cyclohex-3-en-1-ylmethyl)-1-(oxolan-2-yl)ethanamine (CID 43208618) is N-(cyclohex-3-en-1-ylmethyl)-1-(oxolan-2-yl)ethanamine.
What is the SMILES notation for N-(cyclohex-3-en-1-ylmethyl)-1-(oxolan-2-yl)ethanamine?
The canonical SMILES for N-(cyclohex-3-en-1-ylmethyl)-1-(oxolan-2-yl)ethanamine is CC(NCC1CC=CCC1)C1CCCO1.
What is the InChIKey of N-(cyclohex-3-en-1-ylmethyl)-1-(oxolan-2-yl)ethanamine?
The InChIKey is LVHYYDOQXKYZAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO/c1-11(13-8-5-9-15-13)14-10-12-6-3-2-4-7-12/h2-3,11-14H,4-10H2,1H3.
What are the key properties of N-(cyclohex-3-en-1-ylmethyl)-1-(oxolan-2-yl)ethanamine?
N-(cyclohex-3-en-1-ylmethyl)-1-(oxolan-2-yl)ethanamine has a molecular weight of 209.33 g/mol, XLogP of 2.50, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclohex-3-en-1-ylmethyl)-1-(oxolan-2-yl)ethanamine is sourced from PubChem (CID 43208618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).