N-ethyl-4'-methylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine

C17H25NO — CID 114712239

IUPACN-ethyl-4'-methylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine
SMILESCCNC1CC2(CCC(C)CC2)Oc2ccccc21
InChIInChI=1S/C17H25NO/c1-3-18-15-12-17(10-8-13(2)9-11-17)19-16-7-5-4-6-14(15)16/h4-7,13,15,18H,3,8-12H2,1-2H3
InChIKeyCEVQKTUPUCVRPE-UHFFFAOYSA-N
MW259.39 g/mol
LogP4.07
Rot. Bonds2

About N-ethyl-4'-methylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine

N-ethyl-4'-methylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine (PubChem CID 114712239) has the molecular formula C17H25NO and a molecular weight of 259.39 g/mol. Its IUPAC name is N-ethyl-4'-methylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine.

Molecular Properties

Compound NameN-ethyl-4'-methylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine
PubChem CID114712239
Molecular FormulaC17H25NO
Molecular Weight259.39 g/mol
Exact Mass259.19
IUPAC NameN-ethyl-4'-methylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine
SMILESCCNC1CC2(CCC(C)CC2)Oc2ccccc21
InChIInChI=1S/C17H25NO/c1-3-18-15-12-17(10-8-13(2)9-11-17)19-16-7-5-4-6-14(15)16/h4-7,13,15,18H,3,8-12H2,1-2H3
InChIKeyCEVQKTUPUCVRPE-UHFFFAOYSA-N
XLogP4.07
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.39
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-ethyl-4'-methylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine 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-ethyl-4',4'-dimethylspiro[3,4-dihydrochromene-2,1'-cycloheptane]-4-amine
CID 114712158
1'-cyclopropyl-N-ethylspiro[3,4-dihydrochromene-2,3'-pyrrolidine]-4-amine
CID 114712252
N-ethyl-3',6-dimethylspiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-amine
CID 114712701
N-ethyl-1'-methylspiro[3,4-dihydrochromene-2,3'-pyrrolidine]-4-amine
CID 114712287
N-ethyl-1'-methylspiro[3,4-dihydrochromene-2,3'-piperidine]-4-amine
CID 114712286
N-ethyl-2'-propylspiro[3,4-dihydrochromene-2,4'-oxane]-4-amine
CID 114712323
2-(cyclopropylmethyl)-N-ethyl-2-methyl-3,4-dihydrochromen-4-amine
CID 114712262
N-ethyl-2,2-bis(2-methylpropyl)-3,4-dihydrochromen-4-amine
CID 114868375
2-(cyclobutylmethyl)-N-ethyl-2-methyl-3,4-dihydrochromen-4-amine
CID 114712231
6-bromo-N-ethyl-4'-methoxyspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine
CID 114713357
7-bromo-N-ethylspiro[3,4-dihydrochromene-2,1'-cyclooctane]-4-amine
CID 114711827
[2-[[[(4S)-spiro[3,4-dihydrochromene-2,1'-cyclobutane]-4-yl]amino]methyl]phenyl]methanol
CID 97080014

Frequently Asked Questions

What is the IUPAC name of N-ethyl-4'-methylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine?
The IUPAC name of N-ethyl-4'-methylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine (CID 114712239) is N-ethyl-4'-methylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine.
What is the SMILES notation for N-ethyl-4'-methylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine?
The canonical SMILES for N-ethyl-4'-methylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine is CCNC1CC2(CCC(C)CC2)Oc2ccccc21.
What is the InChIKey of N-ethyl-4'-methylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine?
The InChIKey is CEVQKTUPUCVRPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO/c1-3-18-15-12-17(10-8-13(2)9-11-17)19-16-7-5-4-6-14(15)16/h4-7,13,15,18H,3,8-12H2,1-2H3.
What are the key properties of N-ethyl-4'-methylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine?
N-ethyl-4'-methylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine has a molecular weight of 259.39 g/mol, XLogP of 4.07, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4'-methylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine is sourced from PubChem (CID 114712239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).