[2-(dimethylamino)-2,3,3a,7a-tetrahydroinden-1-ylidene]-di(propan-2-yl)phosphanium

C17H29NP+ — CID 138375799

IUPAC[2-(dimethylamino)-2,3,3a,7a-tetrahydroinden-1-ylidene]-di(propan-2-yl)phosphanium
SMILESCC(C)[P+](=C1C2C=CC=CC2CC1N(C)C)C(C)C
InChIInChI=1S/C17H29NP/c1-12(2)19(13(3)4)17-15-10-8-7-9-14(15)11-16(17)18(5)6/h7-10,12-16H,11H2,1-6H3/q+1
InChIKeyZQEVYEZKHACQMI-UHFFFAOYSA-N
MW278.40 g/mol
LogP4.15
Rot. Bonds3

About [2-(dimethylamino)-2,3,3a,7a-tetrahydroinden-1-ylidene]-di(propan-2-yl)phosphanium

[2-(dimethylamino)-2,3,3a,7a-tetrahydroinden-1-ylidene]-di(propan-2-yl)phosphanium (PubChem CID 138375799) has the molecular formula C17H29NP+ and a molecular weight of 278.40 g/mol. Its IUPAC name is [2-(dimethylamino)-2,3,3a,7a-tetrahydroinden-1-ylidene]-di(propan-2-yl)phosphanium.

Molecular Properties

Compound Name[2-(dimethylamino)-2,3,3a,7a-tetrahydroinden-1-ylidene]-di(propan-2-yl)phosphanium
PubChem CID138375799
Molecular FormulaC17H29NP+
Molecular Weight278.40 g/mol
Exact Mass278.20
IUPAC Name[2-(dimethylamino)-2,3,3a,7a-tetrahydroinden-1-ylidene]-di(propan-2-yl)phosphanium
SMILESCC(C)[P+](=C1C2C=CC=CC2CC1N(C)C)C(C)C
InChIInChI=1S/C17H29NP/c1-12(2)19(13(3)4)17-15-10-8-7-9-14(15)11-16(17)18(5)6/h7-10,12-16H,11H2,1-6H3/q+1
InChIKeyZQEVYEZKHACQMI-UHFFFAOYSA-N
XLogP4.15
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 54.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-propan-2-yl-2,3,3a,7a-tetrahydro-1H-indene
CID 19746881
4-propan-2-yl-1,2,4a,8a-tetrahydronaphthalene
CID 101316504
2-ethyl-4a,8a-dihydro-4H-isoquinoline-1,3-dione
CID 18345230
[6-di(propan-2-yl)phosphaniumylidenecyclohexa-2,4-dien-1-ylidene]-di(propan-2-yl)phosphanium
CID 175011532
1-N,2-N,2-N-trimethylcyclohexa-3,5-diene-1,2-diamine
CID 175635928
2,3,3a,7a-tetrahydroisoindol-1-one;ethane
CID 90861348
tetracyclo[7.7.1.02,7.010,15]heptadeca-3,5,11,13-tetraene
CID 59047597
7-methylbicyclo[4.2.0]octa-2,4-diene
CID 14703991
N-methoxy-3,4,4a,8a-tetrahydro-2H-naphthalen-1-imine
CID 135190354
9,10-dimethoxy-1,4,8a,10a-tetrahydroanthracene
CID 10331987
2-bromo-2,3,3a,7a-tetrahydro-1H-indene
CID 91335355
(1S,6R,11S)-11-methylbicyclo[4.4.1]undeca-3,7,9-trien-2-one
CID 10844970

Frequently Asked Questions

What is the IUPAC name of [2-(dimethylamino)-2,3,3a,7a-tetrahydroinden-1-ylidene]-di(propan-2-yl)phosphanium?
The IUPAC name of [2-(dimethylamino)-2,3,3a,7a-tetrahydroinden-1-ylidene]-di(propan-2-yl)phosphanium (CID 138375799) is [2-(dimethylamino)-2,3,3a,7a-tetrahydroinden-1-ylidene]-di(propan-2-yl)phosphanium.
What is the SMILES notation for [2-(dimethylamino)-2,3,3a,7a-tetrahydroinden-1-ylidene]-di(propan-2-yl)phosphanium?
The canonical SMILES for [2-(dimethylamino)-2,3,3a,7a-tetrahydroinden-1-ylidene]-di(propan-2-yl)phosphanium is CC(C)[P+](=C1C2C=CC=CC2CC1N(C)C)C(C)C.
What is the InChIKey of [2-(dimethylamino)-2,3,3a,7a-tetrahydroinden-1-ylidene]-di(propan-2-yl)phosphanium?
The InChIKey is ZQEVYEZKHACQMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29NP/c1-12(2)19(13(3)4)17-15-10-8-7-9-14(15)11-16(17)18(5)6/h7-10,12-16H,11H2,1-6H3/q+1.
What are the key properties of [2-(dimethylamino)-2,3,3a,7a-tetrahydroinden-1-ylidene]-di(propan-2-yl)phosphanium?
[2-(dimethylamino)-2,3,3a,7a-tetrahydroinden-1-ylidene]-di(propan-2-yl)phosphanium has a molecular weight of 278.40 g/mol, XLogP of 4.15, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(dimethylamino)-2,3,3a,7a-tetrahydroinden-1-ylidene]-di(propan-2-yl)phosphanium is sourced from PubChem (CID 138375799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).