N-(3,4-dihydro-2H-chromen-4-ylmethyl)-3-ethylcyclohexan-1-amine

C18H27NO — CID 115653655

IUPACN-(3,4-dihydro-2H-chromen-4-ylmethyl)-3-ethylcyclohexan-1-amine
SMILESCCC1CCCC(NCC2CCOc3ccccc32)C1
InChIInChI=1S/C18H27NO/c1-2-14-6-5-7-16(12-14)19-13-15-10-11-20-18-9-4-3-8-17(15)18/h3-4,8-9,14-16,19H,2,5-7,10-13H2,1H3
InChIKeyQHEZVOBRMXWGEP-UHFFFAOYSA-N
MW273.42 g/mol
LogP4.11
Rot. Bonds4

About N-(3,4-dihydro-2H-chromen-4-ylmethyl)-3-ethylcyclohexan-1-amine

N-(3,4-dihydro-2H-chromen-4-ylmethyl)-3-ethylcyclohexan-1-amine (PubChem CID 115653655) has the molecular formula C18H27NO and a molecular weight of 273.42 g/mol. Its IUPAC name is N-(3,4-dihydro-2H-chromen-4-ylmethyl)-3-ethylcyclohexan-1-amine.

Molecular Properties

Compound NameN-(3,4-dihydro-2H-chromen-4-ylmethyl)-3-ethylcyclohexan-1-amine
PubChem CID115653655
Molecular FormulaC18H27NO
Molecular Weight273.42 g/mol
Exact Mass273.21
IUPAC NameN-(3,4-dihydro-2H-chromen-4-ylmethyl)-3-ethylcyclohexan-1-amine
SMILESCCC1CCCC(NCC2CCOc3ccccc32)C1
InChIInChI=1S/C18H27NO/c1-2-14-6-5-7-16(12-14)19-13-15-10-11-20-18-9-4-3-8-17(15)18/h3-4,8-9,14-16,19H,2,5-7,10-13H2,1H3
InChIKeyQHEZVOBRMXWGEP-UHFFFAOYSA-N
XLogP4.11
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.42
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3,4-dihydro-2H-chromen-4-ylmethyl)-3-methylcyclobutan-1-amine
CID 113320280
N-(3,4-dihydro-2H-chromen-4-ylmethyl)-3,5-dimethylcyclohexan-1-amine
CID 104768322
N-(3,4-dihydro-2H-chromen-4-ylmethyl)-3,3-dimethylcyclohexan-1-amine
CID 104768402
N-(3,4-dihydro-2H-chromen-4-ylmethyl)-1,1-dioxothian-3-amine
CID 115756883
N-(3,4-dihydro-2H-chromen-4-ylmethyl)-2-ethylbutan-1-amine
CID 115756745
N-(3,4-dihydro-2H-chromen-4-ylmethyl)-2,3-dimethylcyclohexan-1-amine
CID 104768239
ethane;4-ethyl-3,4-dihydro-2H-chromene
CID 169111717
[2-(3,4-dihydro-2H-chromen-4-ylmethyl)-4-ethylcyclohexyl]methanamine
CID 104772516
1-(3,4-dihydro-2H-chromen-4-yl)-N-methylmethanamine;hydrochloride
CID 165145525
N-(3,4-dihydro-2H-chromen-4-ylmethyl)-1-methylsulfonylpiperidin-4-amine
CID 75428071
1-cyclopropyl-N-(3,4-dihydro-2H-chromen-4-ylmethyl)methanamine
CID 63708653
2-(3,4-dihydro-2H-chromen-4-ylmethyl)-1,1-dimethylhydrazine
CID 104768421

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dihydro-2H-chromen-4-ylmethyl)-3-ethylcyclohexan-1-amine?
The IUPAC name of N-(3,4-dihydro-2H-chromen-4-ylmethyl)-3-ethylcyclohexan-1-amine (CID 115653655) is N-(3,4-dihydro-2H-chromen-4-ylmethyl)-3-ethylcyclohexan-1-amine.
What is the SMILES notation for N-(3,4-dihydro-2H-chromen-4-ylmethyl)-3-ethylcyclohexan-1-amine?
The canonical SMILES for N-(3,4-dihydro-2H-chromen-4-ylmethyl)-3-ethylcyclohexan-1-amine is CCC1CCCC(NCC2CCOc3ccccc32)C1.
What is the InChIKey of N-(3,4-dihydro-2H-chromen-4-ylmethyl)-3-ethylcyclohexan-1-amine?
The InChIKey is QHEZVOBRMXWGEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27NO/c1-2-14-6-5-7-16(12-14)19-13-15-10-11-20-18-9-4-3-8-17(15)18/h3-4,8-9,14-16,19H,2,5-7,10-13H2,1H3.
What are the key properties of N-(3,4-dihydro-2H-chromen-4-ylmethyl)-3-ethylcyclohexan-1-amine?
N-(3,4-dihydro-2H-chromen-4-ylmethyl)-3-ethylcyclohexan-1-amine has a molecular weight of 273.42 g/mol, XLogP of 4.11, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dihydro-2H-chromen-4-ylmethyl)-3-ethylcyclohexan-1-amine is sourced from PubChem (CID 115653655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).