N-ethyl-4',4'-dimethylspiro[3,4-dihydrochromene-2,1'-cycloheptane]-4-amine

C19H29NO — CID 114712158

IUPACN-ethyl-4',4'-dimethylspiro[3,4-dihydrochromene-2,1'-cycloheptane]-4-amine
SMILESCCNC1CC2(CCCC(C)(C)CC2)Oc2ccccc21
InChIInChI=1S/C19H29NO/c1-4-20-16-14-19(11-7-10-18(2,3)12-13-19)21-17-9-6-5-8-15(16)17/h5-6,8-9,16,20H,4,7,10-14H2,1-3H3
InChIKeyMHYUNCYSBKIIQQ-UHFFFAOYSA-N
MW287.45 g/mol
LogP4.85
Rot. Bonds2

About N-ethyl-4',4'-dimethylspiro[3,4-dihydrochromene-2,1'-cycloheptane]-4-amine

N-ethyl-4',4'-dimethylspiro[3,4-dihydrochromene-2,1'-cycloheptane]-4-amine (PubChem CID 114712158) has the molecular formula C19H29NO and a molecular weight of 287.45 g/mol. Its IUPAC name is N-ethyl-4',4'-dimethylspiro[3,4-dihydrochromene-2,1'-cycloheptane]-4-amine.

Molecular Properties

Compound NameN-ethyl-4',4'-dimethylspiro[3,4-dihydrochromene-2,1'-cycloheptane]-4-amine
PubChem CID114712158
Molecular FormulaC19H29NO
Molecular Weight287.45 g/mol
Exact Mass287.22
IUPAC NameN-ethyl-4',4'-dimethylspiro[3,4-dihydrochromene-2,1'-cycloheptane]-4-amine
SMILESCCNC1CC2(CCCC(C)(C)CC2)Oc2ccccc21
InChIInChI=1S/C19H29NO/c1-4-20-16-14-19(11-7-10-18(2,3)12-13-19)21-17-9-6-5-8-15(16)17/h5-6,8-9,16,20H,4,7,10-14H2,1-3H3
InChIKeyMHYUNCYSBKIIQQ-UHFFFAOYSA-N
XLogP4.85
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.45
LogP ≤ 54.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-ethyl-4'-methylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine
CID 114712239
N-ethyl-1'-methylspiro[3,4-dihydrochromene-2,3'-piperidine]-4-amine
CID 114712286
1'-cyclopropyl-N-ethylspiro[3,4-dihydrochromene-2,3'-pyrrolidine]-4-amine
CID 114712252
N-ethyl-1'-methylspiro[3,4-dihydrochromene-2,3'-pyrrolidine]-4-amine
CID 114712287
2-(cyclobutylmethyl)-N-ethyl-2-methyl-3,4-dihydrochromen-4-amine
CID 114712231
2-(cyclopropylmethyl)-N-ethyl-2-methyl-3,4-dihydrochromen-4-amine
CID 114712262
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
N-ethyl-2'-propylspiro[3,4-dihydrochromene-2,4'-oxane]-4-amine
CID 114712323
(4S)-N-[(3S)-3-[(S)-methylsulfinyl]butyl]spiro[3,4-dihydrochromene-2,1'-cyclobutane]-4-amine
CID 97103915
N-spiro[3,4-dihydrochromene-2,1'-cyclobutane]-4-ylmethanesulfonamide
CID 71920585
N-[(1,1-dioxothian-2-yl)methyl]spiro[3,4-dihydrochromene-2,1'-cyclobutane]-4-amine
CID 127837049

Frequently Asked Questions

What is the IUPAC name of N-ethyl-4',4'-dimethylspiro[3,4-dihydrochromene-2,1'-cycloheptane]-4-amine?
The IUPAC name of N-ethyl-4',4'-dimethylspiro[3,4-dihydrochromene-2,1'-cycloheptane]-4-amine (CID 114712158) is N-ethyl-4',4'-dimethylspiro[3,4-dihydrochromene-2,1'-cycloheptane]-4-amine.
What is the SMILES notation for N-ethyl-4',4'-dimethylspiro[3,4-dihydrochromene-2,1'-cycloheptane]-4-amine?
The canonical SMILES for N-ethyl-4',4'-dimethylspiro[3,4-dihydrochromene-2,1'-cycloheptane]-4-amine is CCNC1CC2(CCCC(C)(C)CC2)Oc2ccccc21.
What is the InChIKey of N-ethyl-4',4'-dimethylspiro[3,4-dihydrochromene-2,1'-cycloheptane]-4-amine?
The InChIKey is MHYUNCYSBKIIQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29NO/c1-4-20-16-14-19(11-7-10-18(2,3)12-13-19)21-17-9-6-5-8-15(16)17/h5-6,8-9,16,20H,4,7,10-14H2,1-3H3.
What are the key properties of N-ethyl-4',4'-dimethylspiro[3,4-dihydrochromene-2,1'-cycloheptane]-4-amine?
N-ethyl-4',4'-dimethylspiro[3,4-dihydrochromene-2,1'-cycloheptane]-4-amine has a molecular weight of 287.45 g/mol, XLogP of 4.85, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4',4'-dimethylspiro[3,4-dihydrochromene-2,1'-cycloheptane]-4-amine is sourced from PubChem (CID 114712158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).