ethane;methylcyclobutane;5-[4-(trifluoromethyl)benzene-6-id-1-yl]-7,8-dihydro-6H-pyrido[4,3-c]azepin-9-amine;uranium

C23H29F3N3U- — CID 167492937

IUPACethane;methylcyclobutane;5-[4-(trifluoromethyl)benzene-6-id-1-yl]-7,8-dihydro-6H-pyrido[4,3-c]azepin-9-amine;uranium
SMILESCC.CC1CCC1.NC1=c2cnccc2=C(c2[c-]cc(C(F)(F)F)cc2)NCC1.[U]
InChIInChI=1S/C16H13F3N3.C5H10.C2H6.U/c17-16(18,19)11-3-1-10(2-4-11)15-12-5-7-21-9-13(12)14(20)6-8-22-15;1-5-3-2-4-5;1-2;/h1,3-5,7,9,22H,6,8,20H2;5H,2-4H2,1H3;1-2H3;/q-1;;;
InChIKeyKFXVHFIKBXKBTD-UHFFFAOYSA-N
MW642.53 g/mol
LogP3.95
Rot. Bonds1

About ethane;methylcyclobutane;5-[4-(trifluoromethyl)benzene-6-id-1-yl]-7,8-dihydro-6H-pyrido[4,3-c]azepin-9-amine;uranium

ethane;methylcyclobutane;5-[4-(trifluoromethyl)benzene-6-id-1-yl]-7,8-dihydro-6H-pyrido[4,3-c]azepin-9-amine;uranium (PubChem CID 167492937) has the molecular formula C23H29F3N3U- and a molecular weight of 642.53 g/mol. Its IUPAC name is ethane;methylcyclobutane;5-[4-(trifluoromethyl)benzene-6-id-1-yl]-7,8-dihydro-6H-pyrido[4,3-c]azepin-9-amine;uranium.

Molecular Properties

Compound Nameethane;methylcyclobutane;5-[4-(trifluoromethyl)benzene-6-id-1-yl]-7,8-dihydro-6H-pyrido[4,3-c]azepin-9-amine;uranium
PubChem CID167492937
Molecular FormulaC23H29F3N3U-
Molecular Weight642.53 g/mol
Exact Mass642.28
IUPAC Nameethane;methylcyclobutane;5-[4-(trifluoromethyl)benzene-6-id-1-yl]-7,8-dihydro-6H-pyrido[4,3-c]azepin-9-amine;uranium
SMILESCC.CC1CCC1.NC1=c2cnccc2=C(c2[c-]cc(C(F)(F)F)cc2)NCC1.[U]
InChIInChI=1S/C16H13F3N3.C5H10.C2H6.U/c17-16(18,19)11-3-1-10(2-4-11)15-12-5-7-21-9-13(12)14(20)6-8-22-15;1-5-3-2-4-5;1-2;/h1,3-5,7,9,22H,6,8,20H2;5H,2-4H2,1H3;1-2H3;/q-1;;;
InChIKeyKFXVHFIKBXKBTD-UHFFFAOYSA-N
XLogP3.95
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500642.53
LogP ≤ 53.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze ethane;methylcyclobutane;5-[4-(trifluoromethyl)benzene-6-id-1-yl]-7,8-dihydro-6H-pyrido[4,3-c]azepin-9-amine;uranium with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

difluoromethane;(E)-4-[[(E)-2-methyl-3-(propylideneamino)-1-[4-(trifluoromethyl)benzene-6-id-1-yl]prop-2-enylidene]amino]-N-propylbut-2-en-2-amine;uranium(2+)
CID 167492539
N-(3-methylnonan-5-yl)-5-[4-(trifluoromethyl)benzene-6-id-1-yl]-7,8-dihydro-6H-pyrido[4,3-c]azepin-9-amine;uranium
CID 167492909
ethane;5-[4-(trifluoromethyl)benzene-6-id-1-yl]-7,8-dihydro-6H-pyrido[4,3-c]azepin-9-amine;uranium
CID 167492987
ethane;N-(5-methylheptan-3-yl)-5-[4-(trifluoromethyl)benzene-6-id-1-yl]-7,8-dihydro-6H-pyrido[4,3-c]azepin-9-amine;propane;uranium
CID 167493311
3-[(E)-cyclohexa-2,4-dien-1-ylidenemethyl]-N-ethylbuta-1,3-dien-2-amine;3-ethyl-5-(3-fluorobutyl)-2,3-dihydropyridine;molecular hydrogen;hydrofluoride
CID 144096700

Frequently Asked Questions

What is the IUPAC name of ethane;methylcyclobutane;5-[4-(trifluoromethyl)benzene-6-id-1-yl]-7,8-dihydro-6H-pyrido[4,3-c]azepin-9-amine;uranium?
The IUPAC name of ethane;methylcyclobutane;5-[4-(trifluoromethyl)benzene-6-id-1-yl]-7,8-dihydro-6H-pyrido[4,3-c]azepin-9-amine;uranium (CID 167492937) is ethane;methylcyclobutane;5-[4-(trifluoromethyl)benzene-6-id-1-yl]-7,8-dihydro-6H-pyrido[4,3-c]azepin-9-amine;uranium.
What is the SMILES notation for ethane;methylcyclobutane;5-[4-(trifluoromethyl)benzene-6-id-1-yl]-7,8-dihydro-6H-pyrido[4,3-c]azepin-9-amine;uranium?
The canonical SMILES for ethane;methylcyclobutane;5-[4-(trifluoromethyl)benzene-6-id-1-yl]-7,8-dihydro-6H-pyrido[4,3-c]azepin-9-amine;uranium is CC.CC1CCC1.NC1=c2cnccc2=C(c2[c-]cc(C(F)(F)F)cc2)NCC1.[U].
What is the InChIKey of ethane;methylcyclobutane;5-[4-(trifluoromethyl)benzene-6-id-1-yl]-7,8-dihydro-6H-pyrido[4,3-c]azepin-9-amine;uranium?
The InChIKey is KFXVHFIKBXKBTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13F3N3.C5H10.C2H6.U/c17-16(18,19)11-3-1-10(2-4-11)15-12-5-7-21-9-13(12)14(20)6-8-22-15;1-5-3-2-4-5;1-2;/h1,3-5,7,9,22H,6,8,20H2;5H,2-4H2,1H3;1-2H3;/q-1;;;.
What are the key properties of ethane;methylcyclobutane;5-[4-(trifluoromethyl)benzene-6-id-1-yl]-7,8-dihydro-6H-pyrido[4,3-c]azepin-9-amine;uranium?
ethane;methylcyclobutane;5-[4-(trifluoromethyl)benzene-6-id-1-yl]-7,8-dihydro-6H-pyrido[4,3-c]azepin-9-amine;uranium has a molecular weight of 642.53 g/mol, XLogP of 3.95, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;methylcyclobutane;5-[4-(trifluoromethyl)benzene-6-id-1-yl]-7,8-dihydro-6H-pyrido[4,3-c]azepin-9-amine;uranium is sourced from PubChem (CID 167492937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).