(Z)-N'-methylethene-1,2-diamine;6-methylspiro[3,4-dihydroisochromene-1,4'-piperidine]

C17H27N3O — CID 168912570

IUPAC(Z)-N'-methylethene-1,2-diamine;6-methylspiro[3,4-dihydroisochromene-1,4'-piperidine]
SMILESCN/C=C\N.Cc1ccc2c(c1)CCOC21CCNCC1
InChIInChI=1S/C14H19NO.C3H8N2/c1-11-2-3-13-12(10-11)4-9-16-14(13)5-7-15-8-6-14;1-5-3-2-4/h2-3,10,15H,4-9H2,1H3;2-3,5H,4H2,1H3/b;3-2-
InChIKeyKYAVTNOBZZZONK-AHNKWOMYSA-N
MW289.42 g/mol
LogP1.78
Rot. Bonds1

About (Z)-N'-methylethene-1,2-diamine;6-methylspiro[3,4-dihydroisochromene-1,4'-piperidine]

(Z)-N'-methylethene-1,2-diamine;6-methylspiro[3,4-dihydroisochromene-1,4'-piperidine] (PubChem CID 168912570) has the molecular formula C17H27N3O and a molecular weight of 289.42 g/mol. Its IUPAC name is (Z)-N'-methylethene-1,2-diamine;6-methylspiro[3,4-dihydroisochromene-1,4'-piperidine].

Molecular Properties

Compound Name(Z)-N'-methylethene-1,2-diamine;6-methylspiro[3,4-dihydroisochromene-1,4'-piperidine]
PubChem CID168912570
Molecular FormulaC17H27N3O
Molecular Weight289.42 g/mol
Exact Mass289.22
IUPAC Name(Z)-N'-methylethene-1,2-diamine;6-methylspiro[3,4-dihydroisochromene-1,4'-piperidine]
SMILESCN/C=C\N.Cc1ccc2c(c1)CCOC21CCNCC1
InChIInChI=1S/C14H19NO.C3H8N2/c1-11-2-3-13-12(10-11)4-9-16-14(13)5-7-15-8-6-14;1-5-3-2-4/h2-3,10,15H,4-9H2,1H3;2-3,5H,4H2,1H3/b;3-2-
InChIKeyKYAVTNOBZZZONK-AHNKWOMYSA-N
XLogP1.78
TPSA59.31 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 51.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze (Z)-N'-methylethene-1,2-diamine;6-methylspiro[3,4-dihydroisochromene-1,4'-piperidine] with MolForge

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Related Compounds

6-methylspiro[1H-2-benzofuran-3,4'-piperidine];hydrochloride
CID 69267820
6-methylspiro[1H-2-benzofuran-3,3'-pyrrolidine]
CID 84662082
6,7-dimethoxyspiro[3,4-dihydroisochromene-1,4'-piperidine]
CID 21423163
6-[(2-methyl-1,3-oxazol-4-yl)methoxy]spiro[3,4-dihydroisochromene-1,4'-piperidine]
CID 146041352
6-[(4-fluoro-3-methylphenyl)methoxy]spiro[3,4-dihydroisochromene-1,4'-piperidine];hydrochloride
CID 154919619
7-methyl-2,3,4,5-tetrahydro-1H-3-benzazepine
CID 55264670
6-methylspiro[1,2-dihydroisoindole-3,4'-piperidine]
CID 84721497
(Z)-1-[(2'S,6'S)-6-methoxy-6'-methylspiro[3,4-dihydroisochromene-1,4'-piperidine]-2'-yl]-N'-methylethene-1,2-diamine
CID 168912569
2,6-dimethylspiro[1H-isoindole-3,4'-piperidine]
CID 84723926
ethane;spiro[1H-2-benzofuran-3,4'-piperidine]
CID 163403209
1-[4-(2,4-dimethylphenyl)piperidin-4-yl]ethanone
CID 82289321
6-methylspiro[3,4-dihydrochromene-2,3'-pyrrolidine]
CID 82046008

Frequently Asked Questions

What is the IUPAC name of (Z)-N'-methylethene-1,2-diamine;6-methylspiro[3,4-dihydroisochromene-1,4'-piperidine]?
The IUPAC name of (Z)-N'-methylethene-1,2-diamine;6-methylspiro[3,4-dihydroisochromene-1,4'-piperidine] (CID 168912570) is (Z)-N'-methylethene-1,2-diamine;6-methylspiro[3,4-dihydroisochromene-1,4'-piperidine].
What is the SMILES notation for (Z)-N'-methylethene-1,2-diamine;6-methylspiro[3,4-dihydroisochromene-1,4'-piperidine]?
The canonical SMILES for (Z)-N'-methylethene-1,2-diamine;6-methylspiro[3,4-dihydroisochromene-1,4'-piperidine] is CN/C=C\N.Cc1ccc2c(c1)CCOC21CCNCC1.
What is the InChIKey of (Z)-N'-methylethene-1,2-diamine;6-methylspiro[3,4-dihydroisochromene-1,4'-piperidine]?
The InChIKey is KYAVTNOBZZZONK-AHNKWOMYSA-N. The full InChI is InChI=1S/C14H19NO.C3H8N2/c1-11-2-3-13-12(10-11)4-9-16-14(13)5-7-15-8-6-14;1-5-3-2-4/h2-3,10,15H,4-9H2,1H3;2-3,5H,4H2,1H3/b;3-2-.
What are the key properties of (Z)-N'-methylethene-1,2-diamine;6-methylspiro[3,4-dihydroisochromene-1,4'-piperidine]?
(Z)-N'-methylethene-1,2-diamine;6-methylspiro[3,4-dihydroisochromene-1,4'-piperidine] has a molecular weight of 289.42 g/mol, XLogP of 1.78, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N'-methylethene-1,2-diamine;6-methylspiro[3,4-dihydroisochromene-1,4'-piperidine] is sourced from PubChem (CID 168912570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).