N-(6-fluorospiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-yl)-N',N'-dimethylpropane-1,3-diamine

C18H27FN2O — CID 82462731

IUPACN-(6-fluorospiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-yl)-N',N'-dimethylpropane-1,3-diamine
SMILESCN(C)CCCNC1CC2(CCCC2)Oc2ccc(F)cc21
InChIInChI=1S/C18H27FN2O/c1-21(2)11-5-10-20-16-13-18(8-3-4-9-18)22-17-7-6-14(19)12-15(16)17/h6-7,12,16,20H,3-5,8-11,13H2,1-2H3
InChIKeyYCPBNQQCURXLDV-UHFFFAOYSA-N
MW306.43 g/mol
LogP3.50
Rot. Bonds5

About N-(6-fluorospiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-yl)-N',N'-dimethylpropane-1,3-diamine

N-(6-fluorospiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-yl)-N',N'-dimethylpropane-1,3-diamine (PubChem CID 82462731) has the molecular formula C18H27FN2O and a molecular weight of 306.43 g/mol. Its IUPAC name is N-(6-fluorospiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-yl)-N',N'-dimethylpropane-1,3-diamine.

Molecular Properties

Compound NameN-(6-fluorospiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-yl)-N',N'-dimethylpropane-1,3-diamine
PubChem CID82462731
Molecular FormulaC18H27FN2O
Molecular Weight306.43 g/mol
Exact Mass306.21
IUPAC NameN-(6-fluorospiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-yl)-N',N'-dimethylpropane-1,3-diamine
SMILESCN(C)CCCNC1CC2(CCCC2)Oc2ccc(F)cc21
InChIInChI=1S/C18H27FN2O/c1-21(2)11-5-10-20-16-13-18(8-3-4-9-18)22-17-7-6-14(19)12-15(16)17/h6-7,12,16,20H,3-5,8-11,13H2,1-2H3
InChIKeyYCPBNQQCURXLDV-UHFFFAOYSA-N
XLogP3.50
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.43
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-butyl-6-fluorospiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine
CID 82462902
N',N'-dimethyl-N-(6-methylspiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-yl)propane-1,3-diamine
CID 82462678
N',N'-dimethyl-N-(7-methylspiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-yl)propane-1,3-diamine
CID 82462666
N-(6-methoxyspiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-yl)-N',N'-dimethylethane-1,2-diamine
CID 82462781
N-butyl-6-methylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine
CID 82462871
6-fluoro-N,1',1'-trimethylspiro[3,4-dihydrochromene-2,4'-cyclohexane]-4-amine
CID 114710437
N-(6-ethyl-2,2-dimethyl-3,4-dihydrochromen-4-yl)-N',N'-dimethylpropane-1,3-diamine
CID 82461812
N-(2-ethyl-2,6-dimethyl-3,4-dihydrochromen-4-yl)-N',N'-dimethylpropane-1,3-diamine
CID 82462158
6-methoxy-N-propylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine
CID 114713133
6-fluoro-N-methylspiro[3,4-dihydrochromene-2,4'-thiane]-4-amine
CID 114710439
(4R)-6-fluorospiro[3,4-dihydrochromene-2,1'-cyclooctane]-4-ol
CID 104948441
2-(6-fluorospiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-yl)ethanamine
CID 82087172

Frequently Asked Questions

What is the IUPAC name of N-(6-fluorospiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-yl)-N',N'-dimethylpropane-1,3-diamine?
The IUPAC name of N-(6-fluorospiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-yl)-N',N'-dimethylpropane-1,3-diamine (CID 82462731) is N-(6-fluorospiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-yl)-N',N'-dimethylpropane-1,3-diamine.
What is the SMILES notation for N-(6-fluorospiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-yl)-N',N'-dimethylpropane-1,3-diamine?
The canonical SMILES for N-(6-fluorospiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-yl)-N',N'-dimethylpropane-1,3-diamine is CN(C)CCCNC1CC2(CCCC2)Oc2ccc(F)cc21.
What is the InChIKey of N-(6-fluorospiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-yl)-N',N'-dimethylpropane-1,3-diamine?
The InChIKey is YCPBNQQCURXLDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27FN2O/c1-21(2)11-5-10-20-16-13-18(8-3-4-9-18)22-17-7-6-14(19)12-15(16)17/h6-7,12,16,20H,3-5,8-11,13H2,1-2H3.
What are the key properties of N-(6-fluorospiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-yl)-N',N'-dimethylpropane-1,3-diamine?
N-(6-fluorospiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-yl)-N',N'-dimethylpropane-1,3-diamine has a molecular weight of 306.43 g/mol, XLogP of 3.50, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-fluorospiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-yl)-N',N'-dimethylpropane-1,3-diamine is sourced from PubChem (CID 82462731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).