N,3',5'-trimethylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine

C17H25NO — CID 114711957

IUPACN,3',5'-trimethylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine
SMILESCNC1CC2(CC(C)CC(C)C2)Oc2ccccc21
InChIInChI=1S/C17H25NO/c1-12-8-13(2)10-17(9-12)11-15(18-3)14-6-4-5-7-16(14)19-17/h4-7,12-13,15,18H,8-11H2,1-3H3
InChIKeyCAHVKLOAFQRXDY-UHFFFAOYSA-N
MW259.39 g/mol
LogP3.92
Rot. Bonds1

About N,3',5'-trimethylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine

N,3',5'-trimethylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine (PubChem CID 114711957) has the molecular formula C17H25NO and a molecular weight of 259.39 g/mol. Its IUPAC name is N,3',5'-trimethylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine.

Molecular Properties

Compound NameN,3',5'-trimethylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine
PubChem CID114711957
Molecular FormulaC17H25NO
Molecular Weight259.39 g/mol
Exact Mass259.19
IUPAC NameN,3',5'-trimethylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine
SMILESCNC1CC2(CC(C)CC(C)C2)Oc2ccccc21
InChIInChI=1S/C17H25NO/c1-12-8-13(2)10-17(9-12)11-15(18-3)14-6-4-5-7-16(14)19-17/h4-7,12-13,15,18H,8-11H2,1-3H3
InChIKeyCAHVKLOAFQRXDY-UHFFFAOYSA-N
XLogP3.92
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.39
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(4S)-3',5'-dimethylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-ol
CID 104949996
(4R)-3',5'-dimethylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine
CID 104946089
3'-methoxy-N-methylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine
CID 106875170
N-methyl-4'-propan-2-ylspiro[3,4-dihydrochromene-2,1'-cycloheptane]-4-amine
CID 114712137
N-methyl-2'-propan-2-ylspiro[3,4-dihydrochromene-2,4'-oxane]-4-amine
CID 114712062
N-methyl-1'-propylspiro[3,4-dihydrochromene-2,4'-piperidine]-4-amine
CID 114711983
2-ethyl-N,2-dimethyl-3,4-dihydrochromen-4-amine
CID 82462113
N,2-dimethyl-2-(1-methylcyclopropyl)-3,4-dihydrochromen-4-amine
CID 114711989
N-ethyl-4'-methylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine
CID 114712239
N,3'-dimethylspiro[3,4-dihydrochromene-2,4'-oxane]-4-amine
CID 114240817
2,2-dimethyl-N-(4-methylcyclohexyl)-3,4-dihydrochromen-4-amine
CID 81137288
6-bromo-N,3'-dimethylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine
CID 114713143

Frequently Asked Questions

What is the IUPAC name of N,3',5'-trimethylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine?
The IUPAC name of N,3',5'-trimethylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine (CID 114711957) is N,3',5'-trimethylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine.
What is the SMILES notation for N,3',5'-trimethylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine?
The canonical SMILES for N,3',5'-trimethylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine is CNC1CC2(CC(C)CC(C)C2)Oc2ccccc21.
What is the InChIKey of N,3',5'-trimethylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine?
The InChIKey is CAHVKLOAFQRXDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO/c1-12-8-13(2)10-17(9-12)11-15(18-3)14-6-4-5-7-16(14)19-17/h4-7,12-13,15,18H,8-11H2,1-3H3.
What are the key properties of N,3',5'-trimethylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine?
N,3',5'-trimethylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine has a molecular weight of 259.39 g/mol, XLogP of 3.92, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,3',5'-trimethylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine is sourced from PubChem (CID 114711957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).