N-[cyclohexen-1-yl(3,4-dihydro-2H-chromen-3-yl)methyl]ethanamine

C18H25NO — CID 106653327

IUPACN-[cyclohexen-1-yl(3,4-dihydro-2H-chromen-3-yl)methyl]ethanamine
SMILESCCNC(C1=CCCCC1)C1COc2ccccc2C1
InChIInChI=1S/C18H25NO/c1-2-19-18(14-8-4-3-5-9-14)16-12-15-10-6-7-11-17(15)20-13-16/h6-8,10-11,16,18-19H,2-5,9,12-13H2,1H3
InChIKeyXMONQEVEKVKMOL-UHFFFAOYSA-N
MW271.40 g/mol
LogP3.72
Rot. Bonds4

About N-[cyclohexen-1-yl(3,4-dihydro-2H-chromen-3-yl)methyl]ethanamine

N-[cyclohexen-1-yl(3,4-dihydro-2H-chromen-3-yl)methyl]ethanamine (PubChem CID 106653327) has the molecular formula C18H25NO and a molecular weight of 271.40 g/mol. Its IUPAC name is N-[cyclohexen-1-yl(3,4-dihydro-2H-chromen-3-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-[cyclohexen-1-yl(3,4-dihydro-2H-chromen-3-yl)methyl]ethanamine
PubChem CID106653327
Molecular FormulaC18H25NO
Molecular Weight271.40 g/mol
Exact Mass271.19
IUPAC NameN-[cyclohexen-1-yl(3,4-dihydro-2H-chromen-3-yl)methyl]ethanamine
SMILESCCNC(C1=CCCCC1)C1COc2ccccc2C1
InChIInChI=1S/C18H25NO/c1-2-19-18(14-8-4-3-5-9-14)16-12-15-10-6-7-11-17(15)20-13-16/h6-8,10-11,16,18-19H,2-5,9,12-13H2,1H3
InChIKeyXMONQEVEKVKMOL-UHFFFAOYSA-N
XLogP3.72
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.40
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-[cyclohexen-1-yl(3,4-dihydro-2H-chromen-3-yl)methyl]ethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[[(1E)-cycloocten-1-yl]-(2,3-dihydro-1H-inden-2-yl)methyl]ethanamine
CID 106653336
N-[cyclopenten-1-yl(1,2,3,4-tetrahydronaphthalen-2-yl)methyl]ethanamine
CID 107126541
N-[cyclobutyl(cyclohexen-1-yl)methyl]ethanamine
CID 62079771
N-[3,4-dihydro-2H-chromen-3-yl(3,4-dihydro-2H-pyran-6-yl)methyl]propan-1-amine
CID 102647613
3-[3,4-dihydro-2H-chromen-3-yl(ethylamino)methyl]pyridin-2-amine
CID 65410111
3-[3,4-dihydro-2H-chromen-3-yl(ethylamino)methyl]pyridin-4-amine
CID 65412264
1-(3,4-dihydro-2H-chromen-3-yl)-N-ethyl-2-methylprop-2-en-1-amine
CID 79180444
1-(3,4-dihydro-2H-chromen-3-yl)-N-ethyl-2-phenylethanamine
CID 65410502
N-[(4-chloro-1-methylpyrazol-5-yl)-(3,4-dihydro-2H-chromen-3-yl)methyl]ethanamine
CID 114655781
1-(3,4-dihydro-2H-chromen-3-yl)-N-ethylbut-3-en-1-amine
CID 65412063
1-(3,4-dihydro-2H-chromen-3-yl)-N-ethylpent-3-yn-1-amine
CID 65410110
N-[3,4-dihydro-2H-chromen-3-yl(oxan-3-yl)methyl]ethanamine
CID 107136471

Frequently Asked Questions

What is the IUPAC name of N-[cyclohexen-1-yl(3,4-dihydro-2H-chromen-3-yl)methyl]ethanamine?
The IUPAC name of N-[cyclohexen-1-yl(3,4-dihydro-2H-chromen-3-yl)methyl]ethanamine (CID 106653327) is N-[cyclohexen-1-yl(3,4-dihydro-2H-chromen-3-yl)methyl]ethanamine.
What is the SMILES notation for N-[cyclohexen-1-yl(3,4-dihydro-2H-chromen-3-yl)methyl]ethanamine?
The canonical SMILES for N-[cyclohexen-1-yl(3,4-dihydro-2H-chromen-3-yl)methyl]ethanamine is CCNC(C1=CCCCC1)C1COc2ccccc2C1.
What is the InChIKey of N-[cyclohexen-1-yl(3,4-dihydro-2H-chromen-3-yl)methyl]ethanamine?
The InChIKey is XMONQEVEKVKMOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25NO/c1-2-19-18(14-8-4-3-5-9-14)16-12-15-10-6-7-11-17(15)20-13-16/h6-8,10-11,16,18-19H,2-5,9,12-13H2,1H3.
What are the key properties of N-[cyclohexen-1-yl(3,4-dihydro-2H-chromen-3-yl)methyl]ethanamine?
N-[cyclohexen-1-yl(3,4-dihydro-2H-chromen-3-yl)methyl]ethanamine has a molecular weight of 271.40 g/mol, XLogP of 3.72, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[cyclohexen-1-yl(3,4-dihydro-2H-chromen-3-yl)methyl]ethanamine is sourced from PubChem (CID 106653327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).