CID 140628539

C17H22N2 — CID 140628539

IUPAC—
SMILESCC1=C(N2[C]N(C3=CC=CC[C@H]3C)CC2)CCC=C1
InChIInChI=1S/C17H22N2/c1-14-7-3-5-9-16(14)18-11-12-19(13-18)17-10-6-4-8-15(17)2/h3-5,8-9,14H,6-7,10-12H2,1-2H3/t14-/m1/s1
InChIKeyQCTKYVKQABYKKY-CQSZACIVSA-N
MW254.38 g/mol
LogP3.70
Rot. Bonds2

About CID 140628539

CID 140628539 (PubChem CID 140628539) has the molecular formula C17H22N2 and a molecular weight of 254.38 g/mol.

Molecular Properties

Compound NameCID 140628539
PubChem CID140628539
Molecular FormulaC17H22N2
Molecular Weight254.38 g/mol
Exact Mass254.18
IUPAC Name—
SMILESCC1=C(N2[C]N(C3=CC=CC[C@H]3C)CC2)CCC=C1
InChIInChI=1S/C17H22N2/c1-14-7-3-5-9-16(14)18-11-12-19(13-18)17-10-6-4-8-15(17)2/h3-5,8-9,14H,6-7,10-12H2,1-2H3/t14-/m1/s1
InChIKeyQCTKYVKQABYKKY-CQSZACIVSA-N
XLogP3.70
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.38
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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1-(6-methylcyclohexa-1,3-dien-1-yl)pyrazole
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9-(6-methylcyclohexa-1,3-dien-1-yl)carbazole
CID 152848775
1-ethyl-6-methylcyclohexa-1,3-diene
CID 91435039
1,6-dimethylcyclodeca-1,3,7-triene
CID 91114782
chloro-(6-methylcyclohexa-1,3-dien-1-yl)mercury
CID 15826882
2,6-dimethyl-1-methylsulfanylcyclohexa-1,3-diene
CID 91241824
1-methyl-1,2,5,6-tetrahydronaphthalene
CID 90700254
6-methyl-1-propan-2-ylcyclohexa-1,3-diene
CID 22481425
4-methyl-3,4,5,6-tetrahydrophenanthrene
CID 123289804
5-(2,6-dimethylcyclohexa-1,3-dien-1-yl)-5a,8b-dihydroacenaphthylene-1,2-dione
CID 123935194

Frequently Asked Questions

What is the IUPAC name of CID 140628539?
The IUPAC name of CID 140628539 (CID 140628539) is not available.
What is the SMILES notation for CID 140628539?
The canonical SMILES for CID 140628539 is CC1=C(N2[C]N(C3=CC=CC[C@H]3C)CC2)CCC=C1.
What is the InChIKey of CID 140628539?
The InChIKey is QCTKYVKQABYKKY-CQSZACIVSA-N. The full InChI is InChI=1S/C17H22N2/c1-14-7-3-5-9-16(14)18-11-12-19(13-18)17-10-6-4-8-15(17)2/h3-5,8-9,14H,6-7,10-12H2,1-2H3/t14-/m1/s1.
What are the key properties of CID 140628539?
CID 140628539 has a molecular weight of 254.38 g/mol, XLogP of 3.70, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 140628539 is sourced from PubChem (CID 140628539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).