2'-methyl-1'-[(Z)-prop-1-enyl]spiro[fluorene-9,3'-indene]-2,5'-diamine

C25H22N2 — CID 163887285

IUPAC2'-methyl-1'-[(Z)-prop-1-enyl]spiro[fluorene-9,3'-indene]-2,5'-diamine
SMILESC/C=C\C1=C(C)C2(c3cc(N)ccc31)c1ccccc1-c1ccc(N)cc12
InChIInChI=1S/C25H22N2/c1-3-6-18-15(2)25(23-13-16(26)9-11-20(18)23)22-8-5-4-7-19(22)21-12-10-17(27)14-24(21)25/h3-14H,26-27H2,1-2H3/b6-3-
InChIKeyPYMDZIRSMNUVGO-UTCJRWHESA-N
MW350.47 g/mol
LogP5.53
Rot. Bonds1

About 2'-methyl-1'-[(Z)-prop-1-enyl]spiro[fluorene-9,3'-indene]-2,5'-diamine

2'-methyl-1'-[(Z)-prop-1-enyl]spiro[fluorene-9,3'-indene]-2,5'-diamine (PubChem CID 163887285) has the molecular formula C25H22N2 and a molecular weight of 350.47 g/mol. Its IUPAC name is 2'-methyl-1'-[(Z)-prop-1-enyl]spiro[fluorene-9,3'-indene]-2,5'-diamine.

Molecular Properties

Compound Name2'-methyl-1'-[(Z)-prop-1-enyl]spiro[fluorene-9,3'-indene]-2,5'-diamine
PubChem CID163887285
Molecular FormulaC25H22N2
Molecular Weight350.47 g/mol
Exact Mass350.18
IUPAC Name2'-methyl-1'-[(Z)-prop-1-enyl]spiro[fluorene-9,3'-indene]-2,5'-diamine
SMILESC/C=C\C1=C(C)C2(c3cc(N)ccc31)c1ccccc1-c1ccc(N)cc12
InChIInChI=1S/C25H22N2/c1-3-6-18-15(2)25(23-13-16(26)9-11-20(18)23)22-8-5-4-7-19(22)21-12-10-17(27)14-24(21)25/h3-14H,26-27H2,1-2H3/b6-3-
InChIKeyPYMDZIRSMNUVGO-UTCJRWHESA-N
XLogP5.53
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500350.47
LogP ≤ 55.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-bromo-2'-methyl-3'-[(Z)-prop-1-enyl]spiro[fluorene-9,1'-indene]
CID 170136169
3'-[(1Z)-buta-1,3-dienyl]-2-iodo-2'-methylspiro[fluorene-9,1'-indene]
CID 89150368
3-methyl-9,9'-spirobi[fluorene]-2',7'-diamine
CID 121368255
3'-ethenyl-2-methyl-2'-[(Z)-prop-1-enyl]spiro[fluorene-9,1'-indene]
CID 144911605
N-(2,4-dimethylphenyl)-N-(2-ethynyl-4-methylphenyl)-2'-methyl-3'-[(Z)-prop-1-enyl]spiro[fluorene-9,1'-indene]-2-amine
CID 155330682
2',7'-ditert-butyl-9,9'-spirobi[fluorene]-2-amine
CID 151739192
2,3-bis(ethenyl)-2'-methyl-3'-prop-1-enylspiro[chromene-4,1'-indene]
CID 123379297
3-methyl-9,9'-spirobi[fluorene]-3'-amine
CID 142477191
9-(3-methylphenyl)-9-phenylfluoren-2-amine
CID 142567662
6-bromo-3,3'-bis(ethenyl)-2,2'-dimethyl-1,1'-spirobi[indene]
CID 123721476
3,3'-bis(ethenyl)-2,2'-bis[(Z)-prop-1-enyl]-1,1'-spirobi[indene]
CID 145204058
CID 146495217
CID 146495217

Frequently Asked Questions

What is the IUPAC name of 2'-methyl-1'-[(Z)-prop-1-enyl]spiro[fluorene-9,3'-indene]-2,5'-diamine?
The IUPAC name of 2'-methyl-1'-[(Z)-prop-1-enyl]spiro[fluorene-9,3'-indene]-2,5'-diamine (CID 163887285) is 2'-methyl-1'-[(Z)-prop-1-enyl]spiro[fluorene-9,3'-indene]-2,5'-diamine.
What is the SMILES notation for 2'-methyl-1'-[(Z)-prop-1-enyl]spiro[fluorene-9,3'-indene]-2,5'-diamine?
The canonical SMILES for 2'-methyl-1'-[(Z)-prop-1-enyl]spiro[fluorene-9,3'-indene]-2,5'-diamine is C/C=C\C1=C(C)C2(c3cc(N)ccc31)c1ccccc1-c1ccc(N)cc12.
What is the InChIKey of 2'-methyl-1'-[(Z)-prop-1-enyl]spiro[fluorene-9,3'-indene]-2,5'-diamine?
The InChIKey is PYMDZIRSMNUVGO-UTCJRWHESA-N. The full InChI is InChI=1S/C25H22N2/c1-3-6-18-15(2)25(23-13-16(26)9-11-20(18)23)22-8-5-4-7-19(22)21-12-10-17(27)14-24(21)25/h3-14H,26-27H2,1-2H3/b6-3-.
What are the key properties of 2'-methyl-1'-[(Z)-prop-1-enyl]spiro[fluorene-9,3'-indene]-2,5'-diamine?
2'-methyl-1'-[(Z)-prop-1-enyl]spiro[fluorene-9,3'-indene]-2,5'-diamine has a molecular weight of 350.47 g/mol, XLogP of 5.53, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2'-methyl-1'-[(Z)-prop-1-enyl]spiro[fluorene-9,3'-indene]-2,5'-diamine is sourced from PubChem (CID 163887285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).